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

Systemtic Name: [4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[3-(2-oxo-1-pyrrolidinyl)propylamino]methyl]phenyl] ester IUPAC Name: [4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[3-(2-ketopyrrolidino)propylcarbamoyl]phenyl] ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S/c24-19-6-2-12-22(19)13-3-11-21-20(25)15-7-9-17(10-8-15)30-31(28,29)18-5-1-4-16(14-18)23(26)27/h1,4-5,7-10,14H,2-3,6,11-13H2,(H,21,25)