[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C20H20N2O6S/c1-29(26,27)17-5-2-4-15(12-17)21-18(23)13-28-20(25)14-7-9-16(10-8-14)22-11-3-6-19(22)24/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,23)