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

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H20N2O6S/c1-10-16(12(3)21)11(2)19-17(10)18(23)26-9-15(22)20-13-7-5-6-8-14(13)27(4,24)25/h5-8,19H,9H2,1-4H3,(H,20,22)