Tuesday, May 14, 2013

All Chemical Compounds Information



Product OPENEYE NAME: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(m-tolyl)propanamide
CAS Name: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinyl]-N-(3-methylphenyl)propanamide
IUPAC NAME: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide
MOLECULAR FORMULA: C22H25ClN4O5S
MOLECULAR WEIGHT: 492.9757
SMILES: CC1=CC(=CC=C1)NC(=O)[C@H](C)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: 6-chloro-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CAS Name: 6-chloro-7-[[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]sulfonyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: 6-chloro-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-chloranyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C16H21ClN3O4S+
MOLECULAR WEIGHT: 386.87364
SMILES: CC(=C)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl
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Product OPENEYE NAME: 6-chloro-7-[4-(2-methylallyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CAS Name: 6-chloro-7-[[4-(2-methylprop-2-enyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: 6-chloro-7-[4-(2-methylprop-2-enyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-chloranyl-7-[4-(2-methylprop-2-enyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C16H20ClN3O4S
MOLECULAR WEIGHT: 385.8657
SMILES: CC(=C)CN1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl
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Product OPENEYE NAME: methyl 3-[[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate
CAS Name: 3-[[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C19H21ClN3O7S+
MOLECULAR WEIGHT: 470.90394
SMILES: COC(=O)C1=C(C=CO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: methyl 3-[[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]methyl]furan-2-carboxylate
CAS Name: 3-[[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C19H20ClN3O7S
MOLECULAR WEIGHT: 469.896
SMILES: COC(=O)C1=C(C=CO1)CN2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: 6-chloro-7-[4-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CAS Name: 6-chloro-7-[[4-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: 6-chloro-7-[4-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-chloranyl-7-[4-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C22H26ClN3O6S
MOLECULAR WEIGHT: 495.97634
SMILES: CC1=CC=C(C=C1)OC[C@H](CN2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)O
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Product OPENEYE NAME: 6-chloro-7-[4-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CAS Name: 6-chloro-7-[[4-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: 6-chloro-7-[4-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-chloranyl-7-[4-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C22H26ClN3O6S
MOLECULAR WEIGHT: 495.97634
SMILES: CC1=CC=C(C=C1)OC[C@@H](CN2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)O
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Product OPENEYE NAME: [(1R)-1-(3,4-difluorophenyl)ethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ammonium
CAS Name: [(1R)-1-(3,4-difluorophenyl)ethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ammonium
IUPAC NAME: [(1R)-1-(3,4-difluorophenyl)ethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SYSTEMATIC NAME: [(1R)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
MOLECULAR FORMULA: C13H16F2N3O+
MOLECULAR WEIGHT: 268.282446
SMILES: CC1=NN=C(O1)C[NH+](C)[C@H](C)C2=CC(=C(C=C2)F)F
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Product OPENEYE NAME: (1R)-1-(3,4-difluorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CAS Name: (1R)-1-(3,4-difluorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
IUPAC NAME: (1R)-1-(3,4-difluorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SYSTEMATIC NAME: (1R)-1-[3,4-bis(fluoranyl)phenyl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
MOLECULAR FORMULA: C13H15F2N3O
MOLECULAR WEIGHT: 267.274506
SMILES: CC1=NN=C(O1)CN(C)[C@H](C)C2=CC(=C(C=C2)F)F
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Product OPENEYE NAME: [(1S)-1-(3,4-difluorophenyl)ethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ammonium
CAS Name: [(1S)-1-(3,4-difluorophenyl)ethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ammonium
IUPAC NAME: [(1S)-1-(3,4-difluorophenyl)ethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SYSTEMATIC NAME: [(1S)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
MOLECULAR FORMULA: C13H16F2N3O+
MOLECULAR WEIGHT: 268.282446
SMILES: CC1=NN=C(O1)C[NH+](C)[C@@H](C)C2=CC(=C(C=C2)F)F
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