ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-2-[[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(4-p-cumenylsulfonylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H36N4O6S2 MolecularWeight: 564.71724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C26H36N4O6S2/c1-7-36-26(33)22-18(4)23(25(32)28(5)6)37-24(22)27-21(31)16-29-12-14-30(15-13-29)38(34,35)20-10-8-19(9-11-20)17(2)3/h8-11,17H,7,12-16H2,1-6H3,(H,27,31)