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

Systemtic Name: N-[3-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-methoxy-4-(2-oxo-1-pyrrolidinyl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-(2-ketopyrrolidino)-3-methoxy-phenyl]-4-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=C(C=C2)[N+](=O)[O-])N3CCCC3=O

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6S/c1-26-16-11-12(4-9-15(16)19-10-2-3-17(19)21)18-27(24,25)14-7-5-13(6-8-14)20(22)23/h4-9,11,18H,2-3,10H2,1H3