N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C22H25F3N2O3S MolecularWeight: 454.50571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H25F3N2O3S/c1-17-9-11-20(12-10-17)31(29,30)27(16-21(28)26-13-4-2-3-5-14-26)19-8-6-7-18(15-19)22(23,24)25/h6-12,15H,2-5,13-14,16H2,1H3