N-[3-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(2-ketopyrrolidino)-3-methoxy-phenyl]-2-nitro-benzenesulfonamide Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCCC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCCC3=O

InChI

InChI=1S/C17H17N3O6S/c1-26-15-11-12(8-9-13(15)19-10-4-7-17(19)21)18-27(24,25)16-6-3-2-5-14(16)20(22)23/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3