N-(2-oxidanylsulfonothioyloxyethyl)-5-[4-(trifluoromethyl)quinolin-2-yl]oxy-pentan-1-amine

Systemtic Name: N-(2-oxidanylsulfonothioyloxyethyl)-5-[4-(trifluoromethyl)quinolin-2-yl]oxy-pentan-1-amine Openeye Name: N-(2-hydroxysulfonothioyloxyethyl)-5-[[4-(trifluoromethyl)-2-quinolyl]oxy]pentan-1-amine CAS Name: N-(2-hydroxysulfonothioyloxyethyl)-5-[[4-(trifluoromethyl)-2-quinolinyl]oxy]-1-pentanamine IUPAC Name: N-(2-hydroxysulfonothioyloxyethyl)-5-[4-(trifluoromethyl)quinolin-2-yl]oxypentan-1-amine Traditional Name: 2-hydroxysulfonothioyloxyethyl-[5-[[4-(trifluoromethyl)-2-quinolyl]oxy]pentyl]amine Formula: C17H21F3N2O4S2 MolecularWeight: 438.48485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)OCCCCCNCCOS(=O)(=S)O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)OCCCCCNCCOS(=O)(=S)O)C(F)(F)F

InChI

InChI=1S/C17H21F3N2O4S2/c18-17(19,20)14-12-16(22-15-7-3-2-6-13(14)15)25-10-5-1-4-8-21-9-11-26-28(23,24)27/h2-3,6-7,12,21H,1,4-5,8-11H2,(H,23,24,27)