4-nitro-N-[2-[1-nonyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylethyl]benzamide

Systemtic Name: 4-nitro-N-[2-[1-nonyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylethyl]benzamide Openeye Name: 4-nitro-N-[2-(1-nonyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylethyl]benzamide CAS Name: 4-nitro-N-[2-[(1-nonyl-2,5-dioxo-3-pyrrolidinyl)thio]ethyl]benzamide IUPAC Name: 4-nitro-N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]benzamide Traditional Name: N-[2-[(2,5-diketo-1-nonyl-pyrrolidin-3-yl)thio]ethyl]-4-nitro-benzamide Formula: C22H31N3O5S MolecularWeight: 449.56364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=O)CC(C1=O)SCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCN1C(=O)CC(C1=O)SCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O5S/c1-2-3-4-5-6-7-8-14-24-20(26)16-19(22(24)28)31-15-13-23-21(27)17-9-11-18(12-10-17)25(29)30/h9-12,19H,2-8,13-16H2,1H3,(H,23,27)