[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C17H18N2O6S/c1-11(20)12-7-15(19(2)9-12)17(22)25-10-16(21)18-13-5-4-6-14(8-13)26(3,23)24/h4-9H,10H2,1-3H3,(H,18,21)