Product OPENEYE NAME: N-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl]-N-isopropyl-1-(4-pyridyl)piperidine-4-carboxamide
CAS Name: N-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl]-N-propan-2-yl-1-pyridin-4-yl-4-piperidinecarboxamide
IUPAC NAME: N-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl]-N-propan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
SYSTEMATIC NAME: N-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl]-N-propan-2-yl-1-pyridin-4-yl-piperidine-4-carboxamide
MOLECULAR FORMULA: C27H32ClN3O3S
MOLECULAR WEIGHT: 514.07928
SMILES: CC(C)N(CCCS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=CC=NC=C4
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Product OPENEYE NAME: 9-benzyl-1,5-dibromo-3-methylene-1,5,9-triazacyclododecane
CAS Name: 1,5-dibromo-3-methylene-9-(phenylmethyl)-1,5,9-triazacyclododecane
IUPAC NAME: 9-benzyl-1,5-dibromo-3-methylidene-1,5,9-triazacyclododecane
SYSTEMATIC NAME: 1,5-bis(bromanyl)-3-methylidene-9-(phenylmethyl)-1,5,9-triazacyclododecane
MOLECULAR FORMULA: C17H25Br2N3
MOLECULAR WEIGHT: 431.2085
SMILES: C=C1CN(CCCN(CCCN(C1)Br)CC2=CC=CC=C2)Br
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Product OPENEYE NAME: 2-(4-chlorophenyl)-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
CAS Name: 2-(4-chlorophenyl)-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
IUPAC NAME: 2-(4-chlorophenyl)-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
SYSTEMATIC NAME: 2-(4-chlorophenyl)-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
MOLECULAR FORMULA: C23H19Cl5N2
MOLECULAR WEIGHT: 500.67536
SMILES: C1CN(C(N1CC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl)CC4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-morpholinosulfonyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione
CAS Name: 4-(4-chlorophenyl)-3-[[4,5-dimethoxy-2-(4-morpholinylsulfonyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-morpholin-4-ylsulfonylphenyl)methyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-morpholin-4-ylsulfonyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C21H23ClN4O5S2
MOLECULAR WEIGHT: 511.01412
SMILES: COC1=C(C=C(C(=C1)CC2=NNC(=S)N2C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCOCC4)OC
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Product OPENEYE NAME: 4-(4-chlorophenyl)-3-[[4,5-dimethoxy-2-(1-piperidylsulfonyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione
CAS Name: 4-(4-chlorophenyl)-3-[[4,5-dimethoxy-2-(1-piperidinylsulfonyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-piperidin-1-ylsulfonylphenyl)methyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-piperidin-1-ylsulfonyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C22H25ClN4O4S2
MOLECULAR WEIGHT: 509.0413
SMILES: COC1=C(C=C(C(=C1)CC2=NNC(=S)N2C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4)OC
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Product OPENEYE NAME: ethyl 2-amino-4-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylate
CAS Name: 2-amino-4-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-4-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C21H15F6NO2S
MOLECULAR WEIGHT: 459.404719
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)N
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Product OPENEYE NAME: 4-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonamide
CAS Name: 4-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]benzenesulfonamide
IUPAC NAME: 4-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonamide
SYSTEMATIC NAME: 4-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]benzenesulfonamide
MOLECULAR FORMULA: C15H16N2O5S
MOLECULAR WEIGHT: 336.36294
SMILES: COC1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)N)C=C(C1=O)OC
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Product OPENEYE NAME: (4R)-3-[(2S,3S)-3-[(3-amino-2-chloro-benzoyl)amino]-2-hydroxy-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide
CAS Name: (4R)-3-[(2S,3S)-3-[[(3-amino-2-chlorophenyl)-oxomethyl]amino]-2-hydroxy-4-(3-methoxyphenyl)-1-oxobutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide
IUPAC NAME: (4R)-3-[(2S,3S)-3-[(3-amino-2-chlorobenzoyl)amino]-2-hydroxy-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: (4R)-3-[(2S,3S)-3-[(3-azanyl-2-chloranyl-phenyl)carbonylamino]-4-(3-methoxyphenyl)-2-oxidanyl-butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C32H37ClN4O5S
MOLECULAR WEIGHT: 625.17798
SMILES: CC1=CC=CC=C1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](CC3=CC(=CC=C3)OC)NC(=O)C4=C(C(=CC=C4)N)Cl)O)(C)C
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Product OPENEYE NAME: 6-nitro-3-[[4-oxo-6-(trifluoromethyl)-5H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one
CAS Name: 6-nitro-3-[[4-oxo-6-(trifluoromethyl)-5H-pyrimidin-2-yl]thio]-4-phenyl-1H-quinolin-2-one
IUPAC NAME: 6-nitro-3-[[4-oxo-6-(trifluoromethyl)-5H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one
SYSTEMATIC NAME: 6-nitro-3-[[4-oxidanylidene-6-(trifluoromethyl)-5H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one
MOLECULAR FORMULA: C20H11F3N4O4S
MOLECULAR WEIGHT: 460.38595
SMILES: C1C(=NC(=NC1=O)SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4)C(F)(F)F
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Product OPENEYE NAME: [2-(4-chloro-2-methyl-anilino)-6-(trifluoromethyl)-3-pyridyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CAS Name: [2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-chlorophenyl)-1-piperazinyl]methanone
IUPAC NAME: [2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: [2-[(4-chloranyl-2-methyl-phenyl)amino]-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C24H21Cl2F3N4O
MOLECULAR WEIGHT: 509.35095
SMILES: CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate
CAS Name: 2-chloro-5-nitrobenzoic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-chloro-5-nitrobenzoate
SYSTEMATIC NAME: [2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate
MOLECULAR FORMULA: C28H32ClNO8
MOLECULAR WEIGHT: 546.00858
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)O)C)O
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Product OPENEYE NAME: 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]carbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Name: 3-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-oxomethyl]-2-bicyclo[2.2.1]hept-5-enecarboxylic acid
IUPAC NAME: 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]carbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
MOLECULAR FORMULA: C30H38O8
MOLECULAR WEIGHT: 526.61792
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)C5C6CC(C5C(=O)O)C=C6)O)C)O
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C16H15N3O2S2
MOLECULAR WEIGHT: 345.4392
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC=CC(=N2)NCC3=CC=CS3
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Product OPENEYE NAME: sodium (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxy-3-phenyl-propanoate
CAS Name: sodium (2R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]-3-phenylpropanoate
IUPAC NAME: sodium (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxy-3-phenylpropanoate
SYSTEMATIC NAME: sodium (2R)-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-3-phenyl-propanoate
MOLECULAR FORMULA: C27H39NaO13
MOLECULAR WEIGHT: 594.58053
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](CC4=CC=CC=C4)C(=O)[O-])O)O)O)O.[Na+]
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Product OPENEYE NAME: ethyl 2-(2-methylsulfanyl-5-oxido-4-oxo-benzo[g]pteridin-5-ium-3-yl)acetate
CAS Name: 2-[2-(methylthio)-5-oxido-4-oxo-3-benzo[g]pteridin-5-iumyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-(2-methylsulfanyl-5-oxido-4-oxobenzo[g]pteridin-5-ium-3-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2-methylsulfanyl-5-oxidanidyl-4-oxidanylidene-benzo[g]pteridin-5-ium-3-yl)ethanoate
MOLECULAR FORMULA: C15H14N4O4S
MOLECULAR WEIGHT: 346.36106
SMILES: CCOC(=O)CN1C(=O)C2=[N+](C3=CC=CC=C3N=C2N=C1SC)[O-]
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Product OPENEYE NAME: N4-isopropyl-2-(4-methylsulfonylphenyl)-N6-(2-thienylmethyl)pyrimidine-4,6-diamine
CAS Name: 2-(4-methylsulfonylphenyl)-N4-propan-2-yl-N6-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-4-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N4-propan-2-yl-N6-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
MOLECULAR FORMULA: C19H22N4O2S2
MOLECULAR WEIGHT: 402.53358
SMILES: CC(C)NC1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-benzyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-4-pyrimidinamine
IUPAC NAME: N-benzyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H17N3O2S
MOLECULAR WEIGHT: 339.41148
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC=CC(=N2)NCC3=CC=CC=C3
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