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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

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