Product OPENEYE NAME: [(1S)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C23H25NO4
MOLECULAR WEIGHT: 379.4489
SMILES: CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [2-(3,4-difluoroanilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate
CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(3,4-difluoroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-difluoroanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate
SYSTEMATIC NAME: [2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate
MOLECULAR FORMULA: C15H20F2N2O5S
MOLECULAR WEIGHT: 378.391506
SMILES: CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=CC(=C(C=C1)F)F
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Product OPENEYE NAME: (E)-3-(2-furyl)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]prop-2-enamide
CAS Name: (E)-3-(2-furanyl)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-propenamide
IUPAC NAME: (E)-3-(furan-2-yl)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(furan-2-yl)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C21H19NO4
MOLECULAR WEIGHT: 349.37986
SMILES: COC1=CC=C(C=C1)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=CO3)OC
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Product OPENEYE NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium
CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium
IUPAC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium
SYSTEMATIC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium
MOLECULAR FORMULA: C19H24N3O6S+
MOLECULAR WEIGHT: 422.47536
SMILES: COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-nitrophenyl)sulfonyl-piperazine
CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-nitrophenyl)sulfonylpiperazine
IUPAC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-nitrophenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-nitrophenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C19H23N3O6S
MOLECULAR WEIGHT: 421.46742
SMILES: COC1=CC=C(C=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 5-(dimethylsulfamoyl)-N-(4-fluorophenyl)-2-morpholino-benzamide
CAS Name: 5-(dimethylsulfamoyl)-N-(4-fluorophenyl)-2-(4-morpholinyl)benzamide
IUPAC NAME: 5-(dimethylsulfamoyl)-N-(4-fluorophenyl)-2-morpholin-4-ylbenzamide
SYSTEMATIC NAME: 5-(dimethylsulfamoyl)-N-(4-fluorophenyl)-2-morpholin-4-yl-benzamide
MOLECULAR FORMULA: C19H22FN3O4S
MOLECULAR WEIGHT: 407.459083
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[(4-methoxyphenyl)methyl]-4-(2-thienylsulfonyl)piperazine-1-carbothioamide
CAS Name: N-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H21N3O3S3
MOLECULAR WEIGHT: 411.56194
SMILES: COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C25H36N4O2+2
MOLECULAR WEIGHT: 424.57894
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N(C)[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxo-ethyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C25H34N4O2
MOLECULAR WEIGHT: 422.56306
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)N(C)[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(4-nitrophenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C16H24N3O5S+
MOLECULAR WEIGHT: 370.44386
SMILES: C1CCO[C@@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(4-nitrophenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C16H23N3O5S
MOLECULAR WEIGHT: 369.43592
SMILES: C1CCO[C@@H](C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(4-nitrophenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C16H24N3O5S+
MOLECULAR WEIGHT: 370.44386
SMILES: C1CCO[C@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(4-nitrophenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(4-nitrophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C16H23N3O5S
MOLECULAR WEIGHT: 369.43592
SMILES: C1CCO[C@H](C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (E)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CAS Name: (E)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-3-(4-methoxyphenyl)-2-propenamide
IUPAC NAME: (E)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C24H23NO4
MOLECULAR WEIGHT: 389.44372
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2)OC)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: methyl 6-[[4-(2-thienylsulfonyl)piperazine-1-carbothioyl]amino]hexanoate
CAS Name: 6-[[sulfanylidene-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]amino]hexanoic acid methyl ester
IUPAC NAME: methyl 6-[(4-thiophen-2-ylsulfonylpiperazine-1-carbothioyl)amino]hexanoate
SYSTEMATIC NAME: methyl 6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbothioylamino]hexanoate
MOLECULAR FORMULA: C16H25N3O4S3
MOLECULAR WEIGHT: 419.5824
SMILES: COC(=O)CCCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CS2
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Product OPENEYE NAME: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate
CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate
SYSTEMATIC NAME: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate
MOLECULAR FORMULA: C16H20ClN3O5S
MOLECULAR WEIGHT: 401.8651
SMILES: CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N
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Product OPENEYE NAME: 2-bromo-5-(dimethylsulfamoyl)-N-(4-fluorophenyl)benzamide
CAS Name: 2-bromo-5-(dimethylsulfamoyl)-N-(4-fluorophenyl)benzamide
IUPAC NAME: 2-bromo-5-(dimethylsulfamoyl)-N-(4-fluorophenyl)benzamide
SYSTEMATIC NAME: 2-bromanyl-5-(dimethylsulfamoyl)-N-(4-fluorophenyl)benzamide
MOLECULAR FORMULA: C15H14BrFN2O3S
MOLECULAR WEIGHT: 401.250663
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: 1-[(2,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium
CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium
IUPAC NAME: 1-[(2,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium
SYSTEMATIC NAME: 1-[(2,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium
MOLECULAR FORMULA: C19H24N3O4S+
MOLECULAR WEIGHT: 390.47656
SMILES: CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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