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

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C16H16N2O6S/c1-10(19)11-7-13(17-8-11)16(21)24-9-15(20)18-12-5-3-4-6-14(12)25(2,22)23/h3-8,17H,9H2,1-2H3,(H,18,20)