Tuesday, January 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1S)-1-benzyl-2-[(2-hydroxy-5-nitro-phenyl)methylamino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C21H19N3O6
MOLECULAR WEIGHT: 409.39206
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-2-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[1-[4-(1-imidazolyl)phenyl]ethylamino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C19H20N4O3
MOLECULAR WEIGHT: 352.3871
SMILES: C[C@@H](C(=O)NC(C)C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: 2-fluoro-N-[(1S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-propyl]benzamide
CAS Name: 2-fluoro-N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 2-fluoro-N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C19H20FN3O5
MOLECULAR WEIGHT: 389.377603
SMILES: CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: (2S)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide
CAS Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
IUPAC NAME: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SYSTEMATIC NAME: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide
MOLECULAR FORMULA: C19H23N3O6S
MOLECULAR WEIGHT: 421.46742
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O
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Product OPENEYE NAME: N-[(1S,2S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-butyl]benzamide
CAS Name: N-[(2S,3S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C20H23N3O5
MOLECULAR WEIGHT: 385.41372
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-[(1S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide
CAS Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
IUPAC NAME: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SYSTEMATIC NAME: 3,5-dimethoxy-N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C21H25N3O7
MOLECULAR WEIGHT: 431.4391
SMILES: CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC(=CC(=C2)OC)OC
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Product OPENEYE NAME: 2-chloro-N-[(1S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-propyl]benzamide
CAS Name: 2-chloro-N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C19H20ClN3O5
MOLECULAR WEIGHT: 405.8322
SMILES: CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC=CC=C2Cl
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Product OPENEYE NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-butanamide
CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methylbutanamide
IUPAC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide
MOLECULAR FORMULA: C18H20BrN3O6S
MOLECULAR WEIGHT: 486.3369
SMILES: CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NS(=O)(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: N-[(1S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-propyl]-2-methyl-benzamide
CAS Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
IUPAC NAME: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SYSTEMATIC NAME: 2-methyl-N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C20H23N3O5
MOLECULAR WEIGHT: 385.41372
SMILES: CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O
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Product OPENEYE NAME: N-[(1S)-2-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-chloro-benzamide
CAS Name: N-[(2S)-1-(4-benzoyl-1-piperazinyl)-1-oxopropan-2-yl]-2-chlorobenzamide
IUPAC NAME: N-[(2S)-1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-1-oxidanylidene-1-[4-(phenylcarbonyl)piperazin-1-yl]propan-2-yl]benzamide
MOLECULAR FORMULA: C21H22ClN3O3
MOLECULAR WEIGHT: 399.87068
SMILES: C[C@@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide
CAS Name: (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
IUPAC NAME: (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-N-[1-[3,4-bis(fluoranyl)phenyl]ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide
MOLECULAR FORMULA: C19H21F3N2O3S
MOLECULAR WEIGHT: 414.44185
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=CC(=C(C=C1)F)F)NS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: N-[(1S)-1-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-methyl-propyl]-2-fluoro-benzenesulfonamide
CAS Name: N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide
IUPAC NAME: N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide
SYSTEMATIC NAME: N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzenesulfonamide
MOLECULAR FORMULA: C23H26FN3O4S
MOLECULAR WEIGHT: 459.533643
SMILES: CC(C)[C@@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2)NS(=O)(=O)C4=CC=CC=C4F
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Product OPENEYE NAME: (2S)-N-[1-(3,4-difluorophenyl)ethyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide
CAS Name: (2S)-N-[1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
IUPAC NAME: (2S)-N-[1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SYSTEMATIC NAME: (2S)-N-[1-[3,4-bis(fluoranyl)phenyl]ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
MOLECULAR FORMULA: C20H24F2N2O3S
MOLECULAR WEIGHT: 410.477966
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC(C)C2=CC(=C(C=C2)F)F
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Product OPENEYE NAME: 4-[[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanoyl]amino]methyl]benzamide
CAS Name: 4-[[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-1-oxobutyl]amino]methyl]benzamide
IUPAC NAME: 4-[[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]methyl]benzamide
SYSTEMATIC NAME: 4-[[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanoyl]amino]methyl]benzamide
MOLECULAR FORMULA: C19H22FN3O4S
MOLECULAR WEIGHT: 407.459083
SMILES: CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)C(=O)N)NS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: (2S)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-(p-tolylsulfonylamino)butanamide
CAS Name: (2S)-3-methyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
IUPAC NAME: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(2-methylpropanoylamino)ethyl]butanamide
SYSTEMATIC NAME: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(2-methylpropanoylamino)ethyl]butanamide
MOLECULAR FORMULA: C18H29N3O4S
MOLECULAR WEIGHT: 383.50556
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCCNC(=O)C(C)C
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Product OPENEYE NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]butanamide
IUPAC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
SYSTEMATIC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
MOLECULAR FORMULA: C17H26BrN3O4S
MOLECULAR WEIGHT: 448.37504
SMILES: CC(C)[C@@H](C(=O)NCCNC(=O)C(C)C)NS(=O)(=O)C1=CC=C(C=C1)Br
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Product OPENEYE NAME: (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CAS Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
IUPAC NAME: (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
SYSTEMATIC NAME: (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]butanamide
MOLECULAR FORMULA: C22H28FN3O4S
MOLECULAR WEIGHT: 449.538823
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2F)C
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Product OPENEYE NAME: 4-[[[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]amino]methyl]benzamide
CAS Name: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]amino]methyl]benzamide
IUPAC NAME: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]benzamide
SYSTEMATIC NAME: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]benzamide
MOLECULAR FORMULA: C20H25N3O4S
MOLECULAR WEIGHT: 403.4952
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)N
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Product OPENEYE NAME: (2S)-N-[2-(2-methylpropanoylamino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-N-[2-(2-methylpropanoylamino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[2-(2-methylpropanoylamino)ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C16H23N3O3S
MOLECULAR WEIGHT: 337.43712
SMILES: CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)C2=CC=CS2
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Product OPENEYE NAME: 4-methoxy-N-[(1S)-2-methyl-1-[[(2-methylbenzoyl)amino]carbamoyl]propyl]benzamide
CAS Name: 4-methoxy-N-[(2S)-3-methyl-1-[[(2-methylphenyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]benzamide
IUPAC NAME: 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-methylphenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C21H25N3O4
MOLECULAR WEIGHT: 383.4409
SMILES: CC1=CC=CC=C1C(=O)NNC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide
CAS Name: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
IUPAC NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SYSTEMATIC NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
MOLECULAR FORMULA: C22H30N2O3S
MOLECULAR WEIGHT: 402.5502
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC(C)C2=C(C=CC(=C2)C)C
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Product OPENEYE NAME: (2S)-N-[1-(2-fluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide
CAS Name: (2S)-N-[1-(2-fluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
IUPAC NAME: (2S)-N-[1-(2-fluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-N-[1-(2-fluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide
MOLECULAR FORMULA: C20H25FN2O4S
MOLECULAR WEIGHT: 408.486903
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=CC=CC=C1F)NS(=O)(=O)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2S)-N-[1-(2-fluorophenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide
CAS Name: (2S)-N-[1-(2-fluorophenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
IUPAC NAME: (2S)-N-[1-(2-fluorophenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-N-[1-(2-fluorophenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide
MOLECULAR FORMULA: C19H22F2N2O3S
MOLECULAR WEIGHT: 396.451386
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=CC=CC=C1F)NS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide
CAS Name: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
IUPAC NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide
MOLECULAR FORMULA: C22H30N2O4S
MOLECULAR WEIGHT: 418.5496
SMILES: CC1=CC(=C(C=C1)C)C(C)NC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC
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