N-(2-methyl-16-oxidanylidene-1-oxacyclohexadec-5-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-methyl-16-oxidanylidene-1-oxacyclohexadec-5-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-3-nitro-benzenesulfonamide CAS Name: N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(16-keto-2-methyl-oxacyclohexadec-5-yl)-3-nitro-benzenesulfonamide Formula: C22H34N2O6S MolecularWeight: 454.58016

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