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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S/c1-12-4-5-13(11-16(12)19-10-2-3-17(19)21)18-26(24,25)15-8-6-14(7-9-15)20(22)23/h4-9,11,18H,2-3,10H2,1H3