N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C21H22ClF3N2O3S MolecularWeight: 474.92419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClF3N2O3S/c22-18-11-10-16(21(23,24)25)14-19(18)27(31(29,30)17-8-4-3-5-9-17)15-20(28)26-12-6-1-2-7-13-26/h3-5,8-11,14H,1-2,6-7,12-13,15H2