[4-[[butan-2-yl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-[[butan-2-yl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[naphthalene-1-carbonyl(sec-butyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[butan-2-yl-[1-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(naphthalene-1-carbonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[1-naphthoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C29H26F3NO4S MolecularWeight: 541.58125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H26F3NO4S/c1-3-20(2)33(28(34)27-13-6-9-22-8-4-5-12-26(22)27)19-21-14-16-24(17-15-21)37-38(35,36)25-11-7-10-23(18-25)29(30,31)32/h4-18,20H,3,19H2,1-2H3