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

Systemtic Name: O4-ethyl O2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H29N3O7S/c1-5-32-22(28)20-16(3)21(24-17(20)4)23(29)33-14-19(27)25-10-12-26(13-11-25)34(30,31)18-8-6-15(2)7-9-18/h6-9,24H,5,10-14H2,1-4H3