Product OPENEYE NAME: 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile
CAS Name: 3-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile
IUPAC NAME: 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C20H24N3O2S+
MOLECULAR WEIGHT: 370.48846
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N
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Product OPENEYE NAME: 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CAS Name: 3-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile
IUPAC NAME: 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C20H23N3O2S
MOLECULAR WEIGHT: 369.48052
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide
MOLECULAR FORMULA: C18H16FN3O5S
MOLECULAR WEIGHT: 405.400143
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)F
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Product OPENEYE NAME: [(1R)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C23H38N4O2+2
MOLECULAR WEIGHT: 402.57342
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C
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Product OPENEYE NAME: 2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C23H36N4O2
MOLECULAR WEIGHT: 400.55754
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C
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Product OPENEYE NAME: (3R,7aS)-N-(4-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CAS Name: (3R,7aS)-N-(4-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
IUPAC NAME: (3R,7aS)-N-(4-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SYSTEMATIC NAME: (3R,7aS)-N-(4-fluorophenyl)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
MOLECULAR FORMULA: C14H15FN2O2S
MOLECULAR WEIGHT: 294.344503
SMILES: C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide
CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H25N3O2S2
MOLECULAR WEIGHT: 367.5293
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium
MOLECULAR FORMULA: C20H26FN2O3S+
MOLECULAR WEIGHT: 393.495443
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine
MOLECULAR FORMULA: C20H25FN2O3S
MOLECULAR WEIGHT: 392.487503
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC
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Product OPENEYE NAME: (3S,7aR)-N-(4-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CAS Name: (3S,7aR)-N-(4-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
IUPAC NAME: (3S,7aR)-N-(4-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SYSTEMATIC NAME: (3S,7aR)-N-(4-fluorophenyl)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
MOLECULAR FORMULA: C14H15FN2O2S
MOLECULAR WEIGHT: 294.344503
SMILES: C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C23H38N4O2+2
MOLECULAR WEIGHT: 402.57342
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C
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Product OPENEYE NAME: 2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C23H36N4O2
MOLECULAR WEIGHT: 400.55754
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C
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Product OPENEYE NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-methyl-2-thienyl)prop-2-enamide
CAS Name: (E)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-(5-methyl-2-thiophenyl)-2-propenamide
IUPAC NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
MOLECULAR FORMULA: C17H18FNOS2
MOLECULAR WEIGHT: 335.459323
SMILES: CC1=CC=C(S1)/C=C/C(=O)NCCSCC2=CC=CC=C2F
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Product OPENEYE NAME: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide
CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H22FN3O2S2
MOLECULAR WEIGHT: 407.525283
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium
MOLECULAR FORMULA: C19H24N3O4S+
MOLECULAR WEIGHT: 390.47656
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
MOLECULAR FORMULA: C19H23N3O4S
MOLECULAR WEIGHT: 389.46862
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 4-[[(2S)-2-(butylsulfonylamino)propanoyl]oxymethyl]benzoate
CAS Name: 4-[[(2S)-2-(butylsulfonylamino)-1-oxopropoxy]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[(2S)-2-(butylsulfonylamino)propanoyl]oxymethyl]benzoate
SYSTEMATIC NAME: methyl 4-[[(2S)-2-(butylsulfonylamino)propanoyl]oxymethyl]benzoate
MOLECULAR FORMULA: C16H23NO6S
MOLECULAR WEIGHT: 357.42192
SMILES: CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC1=CC=C(C=C1)C(=O)OC
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Product OPENEYE NAME: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium
CAS Name: 2-[[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium
IUPAC NAME: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethylazanium
SYSTEMATIC NAME: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium
MOLECULAR FORMULA: C17H29N4O2S2+
MOLECULAR WEIGHT: 385.56776
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+](C)C
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Product OPENEYE NAME: N-[2-(dimethylamino)ethyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
CAS Name: N-[2-(dimethylamino)ethyl]-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-[2-(dimethylamino)ethyl]-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H28N4O2S2
MOLECULAR WEIGHT: 384.55982
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCN(C)C
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C14H22N3O3S+
MOLECULAR WEIGHT: 312.40778
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N
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