N-(2-methyl-16-oxidanylidene-1-oxacyclohexadec-5-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(2-methyl-16-oxidanylidene-1-oxacyclohexadec-5-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-2-nitro-benzenesulfonamide CAS Name: N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(16-keto-2-methyl-oxacyclohexadec-5-yl)-2-nitro-benzenesulfonamide Formula: C22H34N2O6S MolecularWeight: 454.58016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CCCCCCCCCCC(=O)O1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CCCCCCCCCCC(=O)O1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H34N2O6S/c1-18-16-17-19(12-8-6-4-2-3-5-7-9-15-22(25)30-18)23-31(28,29)21-14-11-10-13-20(21)24(26)27/h10-11,13-14,18-19,23H,2-9,12,15-17H2,1H3