[3-[(phenylmethyl)carbamoyl]phenyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)benzenesulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O5S/c27-23-10-5-15-26(23)20-11-13-22(14-12-20)32(29,30)31-21-9-4-8-19(16-21)24(28)25-17-18-6-2-1-3-7-18/h1-4,6-9,11-14,16H,5,10,15,17H2,(H,25,28)