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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=C(SC(=C3C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=C(SC(=C3C)C)NC(=O)C

InChI

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