3-nitro-N-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)phenyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)phenyl]benzenesulfonamide Openeye Name: 3-nitro-N-[4-(3-oxo-3-pyrrolidin-1-yl-propyl)phenyl]benzenesulfonamide CAS Name: 3-nitro-N-[4-[3-oxo-3-(1-pyrrolidinyl)propyl]phenyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzenesulfonamide Traditional Name: N-[4-(3-keto-3-pyrrolidino-propyl)phenyl]-3-nitro-benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-19(21-12-1-2-13-21)11-8-15-6-9-16(10-7-15)20-28(26,27)18-5-3-4-17(14-18)22(24)25/h3-7,9-10,14,20H,1-2,8,11-13H2