Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-[(2S,6R)-2,6-dimethyl-1-piperidyl]propan-1-one
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-[(2S,6R)-2,6-dimethyl-1-piperidinyl]-1-propanone
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
SYSTEMATIC NAME: (2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one
MOLECULAR FORMULA: C20H32N3O3S+
MOLECULAR WEIGHT: 394.55138
SMILES: C[C@@H]1CCC[C@@H](N1C(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[(2S,6R)-2,6-dimethyl-1-piperidyl]propan-1-one
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazinyl]-1-[(2S,6R)-2,6-dimethyl-1-piperidinyl]-1-propanone
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
SYSTEMATIC NAME: (2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: C[C@@H]1CCC[C@@H](N1C(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: N-[4-[2-[2-(3-methylbenzofuran-2-carbonyl)hydrazino]-2-oxo-ethyl]phenyl]acetamide
CAS Name: N-[4-[2-[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-2-oxoethyl]phenyl]acetamide
IUPAC NAME: N-[4-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[2-[2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinyl]-2-oxidanylidene-ethyl]phenyl]ethanamide
MOLECULAR FORMULA: C20H19N3O4
MOLECULAR WEIGHT: 365.38256
SMILES: CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)CC3=CC=C(C=C3)NC(=O)C
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-[(2S,6S)-2,6-dimethyl-1-piperidyl]propan-1-one
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-1-propanone
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
SYSTEMATIC NAME: (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one
MOLECULAR FORMULA: C20H32N3O3S+
MOLECULAR WEIGHT: 394.55138
SMILES: C[C@H]1CCC[C@@H](N1C(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[(2S,6S)-2,6-dimethyl-1-piperidyl]propan-1-one
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazinyl]-1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-1-propanone
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
SYSTEMATIC NAME: (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: C[C@H]1CCC[C@@H](N1C(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate
CAS Name: 5-chloro-2-thiophenecarboxylic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 5-chloranylthiophene-2-carboxylate
MOLECULAR FORMULA: C16H16ClNO4S
MOLECULAR WEIGHT: 353.82054
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)C2=CC=C(S2)Cl
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CAS Name: N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
IUPAC NAME: N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
MOLECULAR FORMULA: C16H17NOS
MOLECULAR WEIGHT: 271.37728
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)CCC3)C
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]propan-1-one
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-1-propanone
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
SYSTEMATIC NAME: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one
MOLECULAR FORMULA: C20H32N3O3S+
MOLECULAR WEIGHT: 394.55138
SMILES: C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]propan-1-one
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazinyl]-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-1-propanone
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
SYSTEMATIC NAME: (2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: N'-[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]-3-methyl-benzofuran-2-carbohydrazide
CAS Name: N'-[(E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]-3-methyl-2-benzofurancarbohydrazide
IUPAC NAME: N'-[(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SYSTEMATIC NAME: N'-[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)NNC(=O)C3=C(C4=CC=CC=C4O3)C
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-benzamide
CAS Name: N-(3,4-dimethylphenyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide
IUPAC NAME: N-(3,4-dimethylphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide
MOLECULAR FORMULA: C20H24N2O2S
MOLECULAR WEIGHT: 356.48176
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC(C)C)C
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Product OPENEYE NAME: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C16H14N2O5
MOLECULAR WEIGHT: 314.29276
SMILES: CC1=CC(=NO1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(4-tert-butylphenoxy)butanoate
CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(4-tert-butylphenoxy)butanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(4-tert-butylphenoxy)butanoate
MOLECULAR FORMULA: C23H33N3O4
MOLECULAR WEIGHT: 415.52582
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SYSTEMATIC NAME: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C21H27FN3O3S+
MOLECULAR WEIGHT: 420.520783
SMILES: C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SYSTEMATIC NAME: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C21H26FN3O3S
MOLECULAR WEIGHT: 419.512843
SMILES: C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 3-methyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzofuran-2-carbohydrazide
CAS Name: 3-methyl-N'-[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]-2-benzofurancarbohydrazide
IUPAC NAME: 3-methyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-1-benzofuran-2-carbohydrazide
SYSTEMATIC NAME: 3-methyl-N'-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]-1-benzofuran-2-carbohydrazide
MOLECULAR FORMULA: C20H17N3O5
MOLECULAR WEIGHT: 379.36608
SMILES: CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)CCN3C4=CC=CC=C4OC3=O
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Product OPENEYE NAME: [5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl ester
IUPAC NAME: [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H16N2O4
MOLECULAR WEIGHT: 348.35204
SMILES: CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SYSTEMATIC NAME: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C21H27FN3O3S+
MOLECULAR WEIGHT: 420.520783
SMILES: C[C@H](C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SYSTEMATIC NAME: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C21H26FN3O3S
MOLECULAR WEIGHT: 419.512843
SMILES: C[C@H](C(=O)NCCC1=CC=C(C=C1)F)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(4-tert-butylphenoxy)butanoate
CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(4-tert-butylphenoxy)butanoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(4-tert-butylphenoxy)butanoate
MOLECULAR FORMULA: C23H33N3O4
MOLECULAR WEIGHT: 415.52582
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: (7-ethyl-2-oxo-chromen-4-yl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (7-ethyl-2-oxochromen-4-yl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H18O5
MOLECULAR WEIGHT: 362.37532
SMILES: CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=CC=CC=C4OC3
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