Product OPENEYE NAME: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(p-tolylsulfonyl)ethylsulfanyl]-1H-1,2,4-triazol-5-one
CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylphenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one
IUPAC NAME: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one
SYSTEMATIC NAME: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one
MOLECULAR FORMULA: C19H19N3O5S2
MOLECULAR WEIGHT: 433.50126
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NNC(=O)N2C3=CC4=C(C=C3)OCCO4
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Product OPENEYE NAME: 3-[2-(2,4-dichlorophenyl)sulfonylethylsulfanyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazol-5-one
CAS Name: 3-[2-(2,4-dichlorophenyl)sulfonylethylthio]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazol-5-one
IUPAC NAME: 3-[2-(2,4-dichlorophenyl)sulfonylethylsulfanyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazol-5-one
SYSTEMATIC NAME: 3-[2-(2,4-dichlorophenyl)sulfonylethylsulfanyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazol-5-one
MOLECULAR FORMULA: C18H15Cl2N3O5S2
MOLECULAR WEIGHT: 488.3648
SMILES: C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SCCS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one
CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one
IUPAC NAME: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one
SYSTEMATIC NAME: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one
MOLECULAR FORMULA: C18H16FN3O5S2
MOLECULAR WEIGHT: 437.465143
SMILES: C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SCCS(=O)(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C15H19NO5
MOLECULAR WEIGHT: 293.31506
SMILES: CC(C)(CC(=O)NCC1=CC2=C(C=C1)OCO2)CC(=O)O
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Product OPENEYE NAME: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C12H13NO5S
MOLECULAR WEIGHT: 283.30032
SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC(=O)O
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-furan-3-carboxamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)-3-furancarboxamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-furan-3-carboxamide
MOLECULAR FORMULA: C18H20N2O6S
MOLECULAR WEIGHT: 392.4262
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCCC2)C(=O)NCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
MOLECULAR FORMULA: C19H13F3N4O5
MOLECULAR WEIGHT: 434.32553
SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C19H19F3N4O3
MOLECULAR WEIGHT: 408.37437
SMILES: C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)C(F)(F)F
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Product OPENEYE NAME: 2-[2-(indan-2-ylamino)-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C13H15NO4
MOLECULAR WEIGHT: 249.2625
SMILES: C1C(CC2=CC=CC=C21)NC(=O)COCC(=O)O
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Product OPENEYE NAME: 4-(indan-2-ylamino)-4-oxo-butanoic acid
CAS Name: 4-(2,3-dihydro-1H-inden-2-ylamino)-4-oxobutanoic acid
IUPAC NAME: 4-(2,3-dihydro-1H-inden-2-ylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(2,3-dihydro-1H-inden-2-ylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: C1C(CC2=CC=CC=C21)NC(=O)CCC(=O)O
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Product OPENEYE NAME: 5-(indan-2-ylamino)-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-(2,3-dihydro-1H-inden-2-ylamino)-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-(2,3-dihydro-1H-inden-2-ylamino)-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-(2,3-dihydro-1H-inden-2-ylamino)-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC(C)(CC(=O)NC1CC2=CC=CC=C2C1)CC(=O)O
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Product OPENEYE NAME: 2-[2-(indan-2-ylamino)-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C13H15NO3S
MOLECULAR WEIGHT: 265.3281
SMILES: C1C(CC2=CC=CC=C21)NC(=O)CSCC(=O)O
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Product OPENEYE NAME: 4-(indan-2-ylamino)-4-oxo-but-2-enoic acid
CAS Name: 4-(2,3-dihydro-1H-inden-2-ylamino)-4-oxo-2-butenoic acid
IUPAC NAME: 4-(2,3-dihydro-1H-inden-2-ylamino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: 4-(2,3-dihydro-1H-inden-2-ylamino)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: C1C(CC2=CC=CC=C21)NC(=O)C=CC(=O)O
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Product OPENEYE NAME: 2-(indan-2-ylcarbamoyl)benzoic acid
CAS Name: 2-[(2,3-dihydro-1H-inden-2-ylamino)-oxomethyl]benzoic acid
IUPAC NAME: 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid
SYSTEMATIC NAME: 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoic acid
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: C1C(CC2=CC=CC=C21)NC(=O)C3=CC=CC=C3C(=O)O
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Product OPENEYE NAME: [2-hydroxy-3-(indan-2-ylamino)propyl] 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl] ester
IUPAC NAME: [3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [3-(2,3-dihydro-1H-inden-2-ylamino)-2-oxidanyl-propyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C19H23NO4S
MOLECULAR WEIGHT: 361.45522
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC2CC3=CC=CC=C3C2)O
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Product OPENEYE NAME: [2-hydroxy-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propyl] 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propyl] ester
IUPAC NAME: [2-hydroxy-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2-oxidanyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C20H24F3N3O4S
MOLECULAR WEIGHT: 459.48247
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)O
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