dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)-1-(4-methylphenyl)sulfonyl-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)-1-(4-methylphenyl)sulfonyl-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)-1-(p-tolylsulfonyl)pyrrole-3,4-dicarboxylate CAS Name: 2-(2-chlorophenyl)-5-(cyclohexylamino)-1-(4-methylphenyl)sulfonylpyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)-1-(4-methylphenyl)sulfonylpyrrole-3,4-dicarboxylate Traditional Name: 2-(2-chlorophenyl)-5-(cyclohexylamino)-1-tosyl-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C27H29ClN2O6S MolecularWeight: 545.04696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=C2NC3CCCCC3)C(=O)OC)C(=O)OC)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=C2NC3CCCCC3)C(=O)OC)C(=O)OC)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H29ClN2O6S/c1-17-13-15-19(16-14-17)37(33,34)30-24(20-11-7-8-12-21(20)28)22(26(31)35-2)23(27(32)36-3)25(30)29-18-9-5-4-6-10-18/h7-8,11-16,18,29H,4-6,9-10H2,1-3H3