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

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S2/c1-14-16(3)32-20(23-17(4)26)19(14)22(28)31-15(2)21(27)24-10-12-25(13-11-24)33(29,30)18-8-6-5-7-9-18/h5-9,15H,10-13H2,1-4H3,(H,23,26)