O2-ethyl O4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(4-besylpiperazino)-2-keto-ethyl] ester O2-ethyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O7S/c1-4-31-22(28)20-15(2)19(16(3)23-20)21(27)32-14-18(26)24-10-12-25(13-11-24)33(29,30)17-8-6-5-7-9-17/h5-9,23H,4,10-14H2,1-3H3