[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C22H23N3O5S2/c1-17(30-22(27)20-19(9-16-31-20)23-10-5-6-11-23)21(26)24-12-14-25(15-13-24)32(28,29)18-7-3-2-4-8-18/h2-11,16-17H,12-15H2,1H3