[4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methylamino]methyl]phenyl] ester IUPAC Name: [4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(2-ketopyrrolidino)benzyl]carbamoyl]phenyl] ester Formula: C24H21N3O7S MolecularWeight: 495.50444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O7S/c28-23-5-2-14-26(23)19-10-6-17(7-11-19)16-25-24(29)18-8-12-21(13-9-18)34-35(32,33)22-4-1-3-20(15-22)27(30)31/h1,3-4,6-13,15H,2,5,14,16H2,(H,25,29)