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

Systemtic Name: [4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[4-(2-oxo-1-pyrrolidinyl)anilino]methyl]phenyl] ester IUPAC Name: [4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(2-ketopyrrolidino)phenyl]carbamoyl]phenyl] ester Formula: C23H19N3O7S MolecularWeight: 481.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H19N3O7S/c27-22-5-2-14-25(22)18-10-8-17(9-11-18)24-23(28)16-6-12-20(13-7-16)33-34(31,32)21-4-1-3-19(15-21)26(29)30/h1,3-4,6-13,15H,2,5,14H2,(H,24,28)