N-methyl-3-nitro-4-[3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC(=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC(=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

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