methyl 4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-morpholin-4-yl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-morpholin-4-yl-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-3-morpholino-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-(4-morpholinyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-morpholin-4-ylpyrrole-2-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-morpholino-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2C(=O)OC)N3CCOCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2C(=O)OC)N3CCOCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2O5S/c1-16-3-9-19(10-4-16)32(28,29)26-15-20(17-5-7-18(24)8-6-17)21(22(26)23(27)30-2)25-11-13-31-14-12-25/h3-10,15H,11-14H2,1-2H3