[3-[[butan-2-yl-(4-methylphenyl)carbonyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[butan-2-yl-(4-methylphenyl)carbonyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(4-methylbenzoyl)-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[butan-2-yl-[(4-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-methylbenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[p-toluoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C26H26F3NO4S MolecularWeight: 505.54915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26F3NO4S/c1-4-19(3)30(25(31)21-13-11-18(2)12-14-21)17-20-7-5-9-23(15-20)34-35(32,33)24-10-6-8-22(16-24)26(27,28)29/h5-16,19H,4,17H2,1-3H3