4-chloranyl-N-[3,7-dimethyl-6,7-bis(oxidanyl)octyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3,7-dimethyl-6,7-bis(oxidanyl)octyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-(6,7-dihydroxy-3,7-dimethyl-octyl)-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-(6,7-dihydroxy-3,7-dimethyloctyl)-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-(6,7-dihydroxy-3,7-dimethyloctyl)-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(6,7-dihydroxy-3,7-dimethyl-octyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C22H35ClN2O5S MolecularWeight: 475.0417

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)(C)O)O)CCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(CCC(C(C)(C)O)O)CCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H35ClN2O5S/c1-16(7-12-20(26)22(2,3)28)13-15-25(19-6-4-5-14-24-21(19)27)31(29,30)18-10-8-17(23)9-11-18/h8-11,16,19-20,26,28H,4-7,12-15H2,1-3H3,(H,24,27)