Thursday, June 20, 2013

All Chemical Compounds Information



Product OPENEYE NAME: [2-[(3-amino-3-oxo-propyl)-benzyl-amino]-2-oxo-ethyl]-[(1S,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-ammonium
CAS Name: [2-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-2-oxoethyl]-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylammonium
IUPAC NAME: [2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl]-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylazanium
SYSTEMATIC NAME: [2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-[(1S,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-azanium
MOLECULAR FORMULA: C22H26Cl2N3O3+
MOLECULAR WEIGHT: 451.36614
SMILES: C[NH+](CC(=O)N(CCC(=O)N)CC1=CC=CC=C1)[C@@H]2[C@H](CC3=C(C=C(C=C23)Cl)Cl)O
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Product OPENEYE NAME: 3-[benzyl-[2-[[(1S,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-amino]acetyl]amino]propanamide
CAS Name: 3-[[2-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-oxoethyl]-(phenylmethyl)amino]propanamide
IUPAC NAME: 3-[benzyl-[2-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]propanamide
SYSTEMATIC NAME: 3-[2-[[(1S,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-amino]ethanoyl-(phenylmethyl)amino]propanamide
MOLECULAR FORMULA: C22H25Cl2N3O3
MOLECULAR WEIGHT: 450.3582
SMILES: CN(CC(=O)N(CCC(=O)N)CC1=CC=CC=C1)[C@@H]2[C@H](CC3=C(C=C(C=C23)Cl)Cl)O
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Product OPENEYE NAME: [2-[(3-amino-3-oxo-propyl)-benzyl-amino]-2-oxo-ethyl]-[(1R,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-ammonium
CAS Name: [2-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-2-oxoethyl]-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylammonium
IUPAC NAME: [2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl]-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylazanium
SYSTEMATIC NAME: [2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-[(1R,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-azanium
MOLECULAR FORMULA: C22H26Cl2N3O3+
MOLECULAR WEIGHT: 451.36614
SMILES: C[NH+](CC(=O)N(CCC(=O)N)CC1=CC=CC=C1)[C@H]2[C@H](CC3=C(C=C(C=C23)Cl)Cl)O
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Product OPENEYE NAME: 3-[benzyl-[2-[[(1R,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-amino]acetyl]amino]propanamide
CAS Name: 3-[[2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-oxoethyl]-(phenylmethyl)amino]propanamide
IUPAC NAME: 3-[benzyl-[2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]propanamide
SYSTEMATIC NAME: 3-[2-[[(1R,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-amino]ethanoyl-(phenylmethyl)amino]propanamide
MOLECULAR FORMULA: C22H25Cl2N3O3
MOLECULAR WEIGHT: 450.3582
SMILES: CN(CC(=O)N(CCC(=O)N)CC1=CC=CC=C1)[C@H]2[C@H](CC3=C(C=C(C=C23)Cl)Cl)O
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Product OPENEYE NAME: N-(3-chlorophenyl)-4-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxamide
CAS Name: N-(3-chlorophenyl)-4-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-1-piperazin-4-iumcarboxamide
IUPAC NAME: N-(3-chlorophenyl)-4-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]piperazin-4-ium-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide
MOLECULAR FORMULA: C23H27ClN5O3+
MOLECULAR WEIGHT: 456.94518
SMILES: C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: N-(3-chlorophenyl)-4-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]piperazine-1-carboxamide
CAS Name: N-(3-chlorophenyl)-4-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-1-piperazinecarboxamide
IUPAC NAME: N-(3-chlorophenyl)-4-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C23H26ClN5O3
MOLECULAR WEIGHT: 455.93724
SMILES: C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CN3CCN(CC3)C(=O)NC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: N-(3-chlorophenyl)-4-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxamide
CAS Name: N-(3-chlorophenyl)-4-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-1-piperazin-4-iumcarboxamide
IUPAC NAME: N-(3-chlorophenyl)-4-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]piperazin-4-ium-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide
MOLECULAR FORMULA: C23H27ClN5O3+
MOLECULAR WEIGHT: 456.94518
SMILES: C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: N-(3-chlorophenyl)-4-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]piperazine-1-carboxamide
CAS Name: N-(3-chlorophenyl)-4-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-1-piperazinecarboxamide
IUPAC NAME: N-(3-chlorophenyl)-4-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C23H26ClN5O3
MOLECULAR WEIGHT: 455.93724
SMILES: C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CN3CCN(CC3)C(=O)NC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 4-[2-[[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]-N,N-diethyl-piperazin-4-ium-1-carboxamide
CAS Name: 4-[2-[[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]-N,N-diethyl-1-piperazin-4-iumcarboxamide
IUPAC NAME: 4-[2-[[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-N,N-diethylpiperazin-4-ium-1-carboxamide
SYSTEMATIC NAME: 4-[2-[[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-N,N-diethyl-piperazin-4-ium-1-carboxamide
MOLECULAR FORMULA: C25H34FN6O2+
MOLECULAR WEIGHT: 469.574863
SMILES: CCN(CC)C(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=C(N2CC3=CC=C(C=C3)F)C)C)C#N
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Product OPENEYE NAME: 4-[2-[[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]-N,N-diethyl-piperazine-1-carboxamide
CAS Name: 4-[2-[[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]-N,N-diethyl-1-piperazinecarboxamide
IUPAC NAME: 4-[2-[[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
SYSTEMATIC NAME: 4-[2-[[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-N,N-diethyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C25H33FN6O2
MOLECULAR WEIGHT: 468.566923
SMILES: CCN(CC)C(=O)N1CCN(CC1)CC(=O)NC2=C(C(=C(N2CC3=CC=C(C=C3)F)C)C)C#N
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Product OPENEYE NAME: cyclopropyl-[2-[[2-(3,4-difluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-[(1R)-1-(1-naphthyl)ethyl]ammonium
CAS Name: cyclopropyl-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-(1-naphthalenyl)ethyl]ammonium
IUPAC NAME: cyclopropyl-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
SYSTEMATIC NAME: [2-[[2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(1R)-1-naphthalen-1-ylethyl]azanium
MOLECULAR FORMULA: C25H26F2N3O2+
MOLECULAR WEIGHT: 438.489646
SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)[NH+](CC(=O)NCC(=O)NC3=CC(=C(C=C3)F)F)C4CC4
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Product OPENEYE NAME: 2-[[2-[cyclopropyl-[(1R)-1-(1-naphthyl)ethyl]amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CAS Name: 2-[[2-[cyclopropyl-[(1R)-1-(1-naphthalenyl)ethyl]amino]-1-oxoethyl]amino]-N-(3,4-difluorophenyl)acetamide
IUPAC NAME: 2-[[2-[cyclopropyl-[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SYSTEMATIC NAME: N-[3,4-bis(fluoranyl)phenyl]-2-[2-[cyclopropyl-[(1R)-1-naphthalen-1-ylethyl]amino]ethanoylamino]ethanamide
MOLECULAR FORMULA: C25H25F2N3O2
MOLECULAR WEIGHT: 437.481706
SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)N(CC(=O)NCC(=O)NC3=CC(=C(C=C3)F)F)C4CC4
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Product OPENEYE NAME: cyclopropyl-[2-[[2-(3,4-difluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-[(1S)-1-(1-naphthyl)ethyl]ammonium
CAS Name: cyclopropyl-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-(1-naphthalenyl)ethyl]ammonium
IUPAC NAME: cyclopropyl-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SYSTEMATIC NAME: [2-[[2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(1S)-1-naphthalen-1-ylethyl]azanium
MOLECULAR FORMULA: C25H26F2N3O2+
MOLECULAR WEIGHT: 438.489646
SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)[NH+](CC(=O)NCC(=O)NC3=CC(=C(C=C3)F)F)C4CC4
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Product OPENEYE NAME: 2-[[2-[cyclopropyl-[(1S)-1-(1-naphthyl)ethyl]amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CAS Name: 2-[[2-[cyclopropyl-[(1S)-1-(1-naphthalenyl)ethyl]amino]-1-oxoethyl]amino]-N-(3,4-difluorophenyl)acetamide
IUPAC NAME: 2-[[2-[cyclopropyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SYSTEMATIC NAME: N-[3,4-bis(fluoranyl)phenyl]-2-[2-[cyclopropyl-[(1S)-1-naphthalen-1-ylethyl]amino]ethanoylamino]ethanamide
MOLECULAR FORMULA: C25H25F2N3O2
MOLECULAR WEIGHT: 437.481706
SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)N(CC(=O)NCC(=O)NC3=CC(=C(C=C3)F)F)C4CC4
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Product OPENEYE NAME: 2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-ammonio]-N-(5-isopropyl-1,3,4-oxadiazol-2-yl)ethanimidate
CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylammonio]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethanimidate
IUPAC NAME: 2-[(5-bromo-2-methoxyphenyl)methyl-methylazaniumyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethanimidate
SYSTEMATIC NAME: 2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-azaniumyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethanimidate
MOLECULAR FORMULA: C16H21BrN4O3
MOLECULAR WEIGHT: 397.26694
SMILES: CC(C)C1=NN=C(O1)N=C(C[NH+](C)CC2=C(C=CC(=C2)Br)OC)[O-]
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Product OPENEYE NAME: 2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-N-(5-isopropyl-1,3,4-oxadiazol-2-yl)acetamide
CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
IUPAC NAME: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C16H21BrN4O3
MOLECULAR WEIGHT: 397.26694
SMILES: CC(C)C1=NN=C(O1)NC(=O)CN(C)CC2=C(C=CC(=C2)Br)OC
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Product OPENEYE NAME: 2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(5-isopropyl-1,3,4-oxadiazol-2-yl)ethanimidate
CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethanimidate
IUPAC NAME: 2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethanimidate
SYSTEMATIC NAME: 2-[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethanimidate
MOLECULAR FORMULA: C18H22FN5O3
MOLECULAR WEIGHT: 375.397383
SMILES: CC(C)C1=NN=C(O1)N=C(C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F)[O-]
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Product OPENEYE NAME: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(5-isopropyl-1,3,4-oxadiazol-2-yl)acetamide
CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
IUPAC NAME: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C18H22FN5O3
MOLECULAR WEIGHT: 375.397383
SMILES: CC(C)C1=NN=C(O1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-cyclopropyl-N-[(1R)-1-(1-naphthyl)ethyl]-2-nitro-benzenesulfonamide
CAS Name: N-cyclopropyl-N-[(1R)-1-(1-naphthalenyl)ethyl]-2-nitrobenzenesulfonamide
IUPAC NAME: N-cyclopropyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-nitrobenzenesulfonamide
SYSTEMATIC NAME: N-cyclopropyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-nitro-benzenesulfonamide
MOLECULAR FORMULA: C21H20N2O4S
MOLECULAR WEIGHT: 396.4595
SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)N(C3CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]
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Product OPENEYE NAME: N-cyclopropyl-N-[(1S)-1-(1-naphthyl)ethyl]-2-nitro-benzenesulfonamide
CAS Name: N-cyclopropyl-N-[(1S)-1-(1-naphthalenyl)ethyl]-2-nitrobenzenesulfonamide
IUPAC NAME: N-cyclopropyl-N-[(1S)-1-naphthalen-1-ylethyl]-2-nitrobenzenesulfonamide
SYSTEMATIC NAME: N-cyclopropyl-N-[(1S)-1-naphthalen-1-ylethyl]-2-nitro-benzenesulfonamide
MOLECULAR FORMULA: C21H20N2O4S
MOLECULAR WEIGHT: 396.4595
SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)N(C3CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]
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Product OPENEYE NAME: N-cyclopropyl-2-fluoro-4,5-dimethoxy-N-[(1S)-1-(1-naphthyl)ethyl]benzenesulfonamide
CAS Name: N-cyclopropyl-2-fluoro-4,5-dimethoxy-N-[(1S)-1-(1-naphthalenyl)ethyl]benzenesulfonamide
IUPAC NAME: N-cyclopropyl-2-fluoro-4,5-dimethoxy-N-[(1S)-1-naphthalen-1-ylethyl]benzenesulfonamide
SYSTEMATIC NAME: N-cyclopropyl-2-fluoranyl-4,5-dimethoxy-N-[(1S)-1-naphthalen-1-ylethyl]benzenesulfonamide
MOLECULAR FORMULA: C23H24FNO4S
MOLECULAR WEIGHT: 429.504363
SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)N(C3CC3)S(=O)(=O)C4=C(C=C(C(=C4)OC)OC)F
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