[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)NC(=O)C)C

InChI

InChI=1S/C21H25N3O6S2/c1-14-15(2)31-20(22-16(3)25)19(14)21(27)30-13-18(26)23-9-11-24(12-10-23)32(28,29)17-7-5-4-6-8-17/h4-8H,9-13H2,1-3H3,(H,22,25)