Product OPENEYE NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate
CAS Name: 5-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate
MOLECULAR FORMULA: C20H27N2O5S+
MOLECULAR WEIGHT: 407.50378
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(O3)C)C(=O)OC
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Product OPENEYE NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate
CAS Name: 5-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate
MOLECULAR FORMULA: C20H26N2O5S
MOLECULAR WEIGHT: 406.49584
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(O3)C)C(=O)OC
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Product OPENEYE NAME: N-(cyclohexylmethyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(cyclohexylmethyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C23H38N4O2+2
MOLECULAR WEIGHT: 402.57342
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NCC3CCCCC3
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Product OPENEYE NAME: N-(cyclohexylmethyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-1-yl]acetamide
CAS Name: N-(cyclohexylmethyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C23H36N4O2
MOLECULAR WEIGHT: 400.55754
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)NCC3CCCCC3
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Product OPENEYE NAME: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H20O4
MOLECULAR WEIGHT: 336.3811
SMILES: CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate
CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate
MOLECULAR FORMULA: C16H16N2O6S
MOLECULAR WEIGHT: 364.37304
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)OC(=O)C2=CC=C(S2)[N+](=O)[O-]
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Product OPENEYE NAME: N-(cyclopentylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(cyclopentylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(cyclopentylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H31N4O4S+
MOLECULAR WEIGHT: 423.54954
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3CCCC3
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Product OPENEYE NAME: N-(cyclopentylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-(cyclopentylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(cyclopentylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H30N4O4S
MOLECULAR WEIGHT: 422.5416
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NC3CCCC3
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Product OPENEYE NAME: (2S)-2-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-butanamide
CAS Name: (2S)-2-acetamido-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-methylbutanamide
IUPAC NAME: (2S)-2-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-2-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-butanamide
MOLECULAR FORMULA: C16H23FN2O2S
MOLECULAR WEIGHT: 326.429423
SMILES: CC(C)[C@@H](C(=O)NCCSCC1=CC=CC=C1F)NC(=O)C
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Product OPENEYE NAME: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C22H36N4O2+2
MOLECULAR WEIGHT: 388.54684
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCCCC3
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Product OPENEYE NAME: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C22H34N4O2
MOLECULAR WEIGHT: 386.53096
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3
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Product OPENEYE NAME: (3-fluoro-4-methoxy-phenyl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester
IUPAC NAME: (3-fluoro-4-methoxyphenyl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (3-fluoranyl-4-methoxy-phenyl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H15FO4
MOLECULAR WEIGHT: 314.307703
SMILES: COC1=C(C=C(C=C1)COC(=O)C2=CC3=CC=CC=C3OC2)F
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Product OPENEYE NAME: N-(4-fluorophenyl)-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-benzamide
CAS Name: N-(4-fluorophenyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide
IUPAC NAME: N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide
MOLECULAR FORMULA: C18H19FN2O2S
MOLECULAR WEIGHT: 346.419063
SMILES: CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate
CAS Name: 5-nitro-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-nitrothiophene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate
MOLECULAR FORMULA: C16H16N2O6S
MOLECULAR WEIGHT: 364.37304
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)C2=CC=C(S2)[N+](=O)[O-]
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Product OPENEYE NAME: (2R)-2-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-butanamide
CAS Name: (2R)-2-acetamido-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-methylbutanamide
IUPAC NAME: (2R)-2-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methylbutanamide
SYSTEMATIC NAME: (2R)-2-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-butanamide
MOLECULAR FORMULA: C16H23FN2O2S
MOLECULAR WEIGHT: 326.429423
SMILES: CC(C)[C@H](C(=O)NCCSCC1=CC=CC=C1F)NC(=O)C
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Product OPENEYE NAME: ethyl N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate
SYSTEMATIC NAME: ethyl N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C17H26N3O5S+
MOLECULAR WEIGHT: 384.47044
SMILES: CCOC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C
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Product OPENEYE NAME: ethyl N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
SYSTEMATIC NAME: ethyl N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C17H25N3O5S
MOLECULAR WEIGHT: 383.4625
SMILES: CCOC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C
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Product OPENEYE NAME: 1-(1-adamantylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CAS Name: 1-(1-adamantylmethyl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea
IUPAC NAME: 1-(1-adamantylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
SYSTEMATIC NAME: 1-(1-adamantylmethyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
MOLECULAR FORMULA: C18H32N3OS+
MOLECULAR WEIGHT: 338.53118
SMILES: C1COCC[NH+]1CCNC(=S)NCC23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: 1-(1-adamantylmethyl)-3-(2-morpholinoethyl)thiourea
CAS Name: 1-(1-adamantylmethyl)-3-[2-(4-morpholinyl)ethyl]thiourea
IUPAC NAME: 1-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)thiourea
SYSTEMATIC NAME: 1-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)thiourea
MOLECULAR FORMULA: C18H31N3OS
MOLECULAR WEIGHT: 337.52324
SMILES: C1COCCN1CCNC(=S)NCC23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate
CAS Name: 5-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C19H25N2O5S+
MOLECULAR WEIGHT: 393.4772
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC
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Product OPENEYE NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
CAS Name: 5-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C19H24N2O5S
MOLECULAR WEIGHT: 392.46926
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(O3)C(=O)OC
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Product OPENEYE NAME: 2-[4-[2-[benzyl(methyl)amino]-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: 2-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C24H34N4O2+2
MOLECULAR WEIGHT: 410.55236
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N(C)CC3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-[2-[benzyl(methyl)amino]-2-oxo-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]-1-piperazinyl]acetamide
IUPAC NAME: 2-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C24H32N4O2
MOLECULAR WEIGHT: 408.53648
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)N(C)CC3=CC=CC=C3
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Product OPENEYE NAME: [2-(3-thienyl)thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate
CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester
IUPAC NAME: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 5-nitrothiophene-2-carboxylate
SYSTEMATIC NAME: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 5-nitrothiophene-2-carboxylate
MOLECULAR FORMULA: C13H8N2O4S3
MOLECULAR WEIGHT: 352.40862
SMILES: C1=CSC=C1C2=NC(=CS2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]
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