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

Systemtic Name: N-[3-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(2-ketopyrrolidino)-3-methoxy-phenyl]-3-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/c1-26-16-10-12(7-8-15(16)19-9-3-6-17(19)21)18-27(24,25)14-5-2-4-13(11-14)20(22)23/h2,4-5,7-8,10-11,18H,3,6,9H2,1H3