ethyl 1-[(3-chlorophenyl)carbonylamino]-2,5-dimethyl-4-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[(3-chlorophenyl)carbonylamino]-2,5-dimethyl-4-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[(3-chlorobenzoyl)amino]-2,5-dimethyl-4-(p-tolylsulfonyl)pyrrole-3-carboxylate CAS Name: 1-[[(3-chlorophenyl)-oxomethyl]amino]-2,5-dimethyl-4-(4-methylphenyl)sulfonyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-chlorobenzoyl)amino]-2,5-dimethyl-4-(4-methylphenyl)sulfonylpyrrole-3-carboxylate Traditional Name: 1-[(3-chlorobenzoyl)amino]-2,5-dimethyl-4-tosyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)C2=CC=C(C=C2)C)C)NC(=O)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)C2=CC=C(C=C2)C)C)NC(=O)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C23H23ClN2O5S/c1-5-31-23(28)20-15(3)26(25-22(27)17-7-6-8-18(24)13-17)16(4)21(20)32(29,30)19-11-9-14(2)10-12-19/h6-13H,5H2,1-4H3,(H,25,27)