[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolecarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C23H24N2O5S/c1-15-7-5-6-8-21(15)25-16(2)13-20(17(25)3)23(27)30-14-22(26)24-18-9-11-19(12-10-18)31(4,28)29/h5-13H,14H2,1-4H3,(H,24,26)