4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[[3-(trifluoromethyloxy)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[[3-(trifluoromethyloxy)phenyl]methyl]benzenesulfonamide Openeye Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide CAS Name: 4-chloro-N-(2-oxo-3-azepanyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-[3-(trifluoromethoxy)benzyl]benzenesulfonamide Formula: C20H20ClF3N2O4S MolecularWeight: 476.89701

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC(=CC=C2)OC(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC(=CC=C2)OC(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClF3N2O4S/c21-15-7-9-17(10-8-15)31(28,29)26(18-6-1-2-11-25-19(18)27)13-14-4-3-5-16(12-14)30-20(22,23)24/h3-5,7-10,12,18H,1-2,6,11,13H2,(H,25,27)