Product OPENEYE NAME: N-[(2S,3S)-1-(3-chloro-4-cyano-phenyl)-2-methyl-pyrrolidin-3-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CAS Name: N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methyl-3-pyrrolidinyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinecarboxamide
IUPAC NAME: N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-[(2S,3S)-1-(3-chloranyl-4-cyano-phenyl)-2-methyl-pyrrolidin-3-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
MOLECULAR FORMULA: C21H19ClN6O2
MOLECULAR WEIGHT: 422.86756
SMILES: C[C@H]1[C@H](CCN1C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NC=C(C=C3)C4=NN=C(O4)C
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Product OPENEYE NAME: cyclohexyl 2-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]-4-piperidyl]thiazole-4-carboxylate
CAS Name: 2-[1-[2-[3,5-bis(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]-4-piperidinyl]-4-thiazolecarboxylic acid cyclohexyl ester
IUPAC NAME: cyclohexyl 2-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: cyclohexyl 2-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C22H24F6N4O3S
MOLECULAR WEIGHT: 538.506379
SMILES: C1CCC(CC1)OC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)CN4C(=CC(=N4)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-naphthyl 2-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]-4-piperidyl]thiazole-4-carboxylate
CAS Name: 2-[1-[2-[3,5-bis(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]-4-piperidinyl]-4-thiazolecarboxylic acid 1-naphthalenyl ester
IUPAC NAME: naphthalen-1-yl 2-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: naphthalen-1-yl 2-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C26H20F6N4O3S
MOLECULAR WEIGHT: 582.517419
SMILES: C1CN(CCC1C2=NC(=CS2)C(=O)OC3=CC=CC4=CC=CC=C43)C(=O)CN5C(=CC(=N5)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-1-amine
CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-1-propanamine
IUPAC NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-1-amine
SYSTEMATIC NAME: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-1-amine
MOLECULAR FORMULA: C13H18ClNO4S
MOLECULAR WEIGHT: 319.80432
SMILES: CCCNC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl
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Product OPENEYE NAME: 1-[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methyl-methanamine
CAS Name: 1-[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
IUPAC NAME: 1-[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
SYSTEMATIC NAME: 1-[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methyl-methanamine
MOLECULAR FORMULA: C11H14ClNO4S
MOLECULAR WEIGHT: 291.75116
SMILES: CNC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl
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Product OPENEYE NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2-methoxy-ethanamine
CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2-methoxyethanamine
IUPAC NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2-methoxyethanamine
SYSTEMATIC NAME: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2-methoxy-ethanamine
MOLECULAR FORMULA: C13H18ClNO5S
MOLECULAR WEIGHT: 335.80372
SMILES: COCCNC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl
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Product OPENEYE NAME: 2,2-dimethyl-N-[[(3S)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
CAS Name: 2,2-dimethyl-N-[[(3S)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propanamine
IUPAC NAME: 2,2-dimethyl-N-[[(3S)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
SYSTEMATIC NAME: 2,2-dimethyl-N-[[(3S)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
MOLECULAR FORMULA: C15H23NO4S
MOLECULAR WEIGHT: 313.41242
SMILES: CC(C)(C)CNC[C@H]1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-ethyl-butan-2-amine
CAS Name: 1-[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-ethyl-2-butanamine
IUPAC NAME: 1-[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-ethylbutan-2-amine
SYSTEMATIC NAME: 1-[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-ethyl-butan-2-amine
MOLECULAR FORMULA: C15H22ClNO4S
MOLECULAR WEIGHT: 347.85748
SMILES: CCC(C[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl)NCC
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Product OPENEYE NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-N-methyl-propan-1-amine
CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-N-methyl-1-propanamine
IUPAC NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-N-methylpropan-1-amine
SYSTEMATIC NAME: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-N-methyl-propan-1-amine
MOLECULAR FORMULA: C14H20ClNO4S
MOLECULAR WEIGHT: 333.8309
SMILES: CCCN(C)C[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl
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Product OPENEYE NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-2-amine
CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2-propanamine
IUPAC NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-2-amine
SYSTEMATIC NAME: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-2-amine
MOLECULAR FORMULA: C13H18ClNO4S
MOLECULAR WEIGHT: 319.80432
SMILES: CC(C)NC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl
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Product OPENEYE NAME: 1-[(7-methylsulfonylchroman-2-yl)methyl]azetidine
CAS Name: 1-[(7-methylsulfonyl-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]azetidine
IUPAC NAME: 1-[(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methyl]azetidine
SYSTEMATIC NAME: 1-[(7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl)methyl]azetidine
MOLECULAR FORMULA: C14H19NO3S
MOLECULAR WEIGHT: 281.37056
SMILES: CS(=O)(=O)C1=CC2=C(CCC(O2)CN3CCC3)C=C1
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Product OPENEYE NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-acetate hydroiodide
CAS Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetic acid methyl ester hydroiodide
IUPAC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate hydroiodide
SYSTEMATIC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethanoate hydroiodide
MOLECULAR FORMULA: C16H18INO2S
MOLECULAR WEIGHT: 415.28909
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N2CCC3=C(C2)C=CS3.I
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Product OPENEYE NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-acetate nitrate
CAS Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetic acid methyl ester nitrate
IUPAC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate nitrate
SYSTEMATIC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethanoate nitrate
MOLECULAR FORMULA: C16H17N2O5S-
MOLECULAR WEIGHT: 349.38158
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N2CCC3=C(C2)C=CS3.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-acetate; oxalic acid
CAS Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetic acid methyl ester; oxalic acid
IUPAC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethanoate
MOLECULAR FORMULA: C18H19NO6S
MOLECULAR WEIGHT: 377.41156
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N2CCC3=C(C2)C=CS3.C(=O)(C(=O)O)O
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Product OPENEYE NAME: N-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-2-(dimethylamino)acetamide
CAS Name: N-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-2-(dimethylamino)acetamide
IUPAC NAME: N-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-2-(dimethylamino)acetamide
SYSTEMATIC NAME: N-[(6aS,8Z,10S,10aS,11aR)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-2-(dimethylamino)ethanamide
MOLECULAR FORMULA: C25H30N4O8
MOLECULAR WEIGHT: 514.5277
SMILES: CN(C)CC(=O)NC1=C2C[C@H]3C[C@H]4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C(C2=C(C=C1)O)O)O)N(C)C
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Product OPENEYE NAME: (2Z,4R,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[5-[(4-methylpiperazin-1-yl)methyl]-2-furyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
CAS Name: (2Z,4R,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[5-[(4-methyl-1-piperazinyl)methyl]-2-furanyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
IUPAC NAME: (2Z,4R,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4R,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
MOLECULAR FORMULA: C31H36N4O8
MOLECULAR WEIGHT: 592.63954
SMILES: CN1CCN(CC1)CC2=CC=C(O2)C3=C4C[C@H]5C[C@H]6[C@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]6(C(=O)C5=C(C4=C(C=C3)O)O)O)N(C)C
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Product OPENEYE NAME: methyl 2-[(4Z)-4-[hydroxy(phenyl)methylene]-2,3-dioxo-5-(p-tolyl)pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate
CAS Name: 2-[(3Z)-3-[hydroxy(phenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxo-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(3Z)-3-[hydroxy(phenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: methyl 4-methyl-2-[(3Z)-2-(4-methylphenyl)-4,5-bis(oxidanylidene)-3-[oxidanyl(phenyl)methylidene]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C24H20N2O5S
MOLECULAR WEIGHT: 448.491
SMILES: CC1=CC=C(C=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C
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Product OPENEYE NAME: N-[4-[(4-acetamidophenyl)sulfonylamino]-2,6-dimethoxy-phenyl]benzamide
CAS Name: N-[4-[(4-acetamidophenyl)sulfonylamino]-2,6-dimethoxyphenyl]benzamide
IUPAC NAME: N-[4-[(4-acetamidophenyl)sulfonylamino]-2,6-dimethoxyphenyl]benzamide
SYSTEMATIC NAME: N-[4-[(4-acetamidophenyl)sulfonylamino]-2,6-dimethoxy-phenyl]benzamide
MOLECULAR FORMULA: C23H23N3O6S
MOLECULAR WEIGHT: 469.51022
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC
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Product OPENEYE NAME: (2S)-N-[(3S,6S,10aS)-5-oxo-3-(4-phenyl-1H-benzimidazol-2-yl)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-6-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(3S,6S,10aS)-5-oxo-3-(4-phenyl-1H-benzimidazol-2-yl)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-6-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(3S,6S,10aS)-5-oxo-3-(4-phenyl-1H-benzimidazol-2-yl)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-6-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(3S,6S,10aS)-5-oxidanylidene-3-(4-phenyl-1H-benzimidazol-2-yl)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-6-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C27H33N5O2
MOLECULAR WEIGHT: 459.58322
SMILES: C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C3=NC4=C(C=CC=C4N3)C5=CC=CC=C5)NC
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Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-3-(3-methylbutanoyl)-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(5S,8S,10aR)-3-(3-methyl-1-oxobutyl)-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(5S,8S,10aR)-3-(3-methylbutanoyl)-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(5S,8S,10aR)-3-(3-methylbutanoyl)-6-oxidanylidene-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C31H40N6O3
MOLECULAR WEIGHT: 544.6877
SMILES: C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C3=NC4=C(C=CC=C4N3)C5=CC=CC=C5)C(=O)CC(C)C)NC
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Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-6-oxo-3-(2-phenylacetyl)-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(5S,8S,10aR)-6-oxo-3-(1-oxo-2-phenylethyl)-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(5S,8S,10aR)-6-oxo-3-(2-phenylacetyl)-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(5S,8S,10aR)-6-oxidanylidene-8-(4-phenyl-1H-benzimidazol-2-yl)-3-(2-phenylethanoyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C34H38N6O3
MOLECULAR WEIGHT: 578.70392
SMILES: C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C3=NC4=C(C=CC=C4N3)C5=CC=CC=C5)C(=O)CC6=CC=CC=C6)NC
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