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

Systemtic Name: N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-methyl-3-(2-oxo-1-pyrrolidinyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(2-ketopyrrolidino)-4-methyl-phenyl]-2-nitro-benzenesulfonamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCCC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCCC3=O

InChI

InChI=1S/C17H17N3O5S/c1-12-8-9-13(11-15(12)19-10-4-7-17(19)21)18-26(24,25)16-6-3-2-5-14(16)20(22)23/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3