[3-[[(4-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[(4-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[isobutyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(4-methoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isobutyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C26H27F3N2O5S MolecularWeight: 536.56319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H27F3N2O5S/c1-18(2)16-31(25(32)30-21-10-12-22(35-3)13-11-21)17-19-6-4-8-23(14-19)36-37(33,34)24-9-5-7-20(15-24)26(27,28)29/h4-15,18H,16-17H2,1-3H3,(H,30,32)