diethyl 3-methyl-5-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-tosylpiperazino)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H31N3O6S/c1-5-31-22(27)20-17(4)21(23(28)32-6-2)24-19(20)15-25-11-13-26(14-12-25)33(29,30)18-9-7-16(3)8-10-18/h7-10,24H,5-6,11-15H2,1-4H3