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

Systemtic Name: methyl 1-[(3-chlorophenyl)carbonylamino]-2,5-dimethyl-4-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C(=O)OC)C)NC(=O)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C(=O)OC)C)NC(=O)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H21ClN2O5S/c1-13-8-10-18(11-9-13)31(28,29)20-15(3)25(14(2)19(20)22(27)30-4)24-21(26)16-6-5-7-17(23)12-16/h5-12H,1-4H3,(H,24,26)