N-[4-[1-(azepan-3-yl)hexoxy]phenyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[4-[1-(azepan-3-yl)hexoxy]phenyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[4-[1-(azepan-3-yl)hexoxy]phenyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-[1-(3-azepanyl)hexoxy]phenyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[4-[1-(azepan-3-yl)hexoxy]phenyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[4-[1-(azepan-3-yl)hexoxy]phenyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide Formula: C26H35F3N2O3S MolecularWeight: 512.62791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCCCNC1)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCC(C1CCCCNC1)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C26H35F3N2O3S/c1-3-4-5-9-25(20-8-6-7-18-30-19-20)34-23-14-12-22(13-15-23)31(2)35(32,33)24-16-10-21(11-17-24)26(27,28)29/h10-17,20,25,30H,3-9,18-19H2,1-2H3