[4-[[(4-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(4-methoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isobutyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C25H27FN2O5S MolecularWeight: 486.555683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O5S/c1-18(2)16-28(25(29)27-21-8-12-22(32-3)13-9-21)17-19-4-10-23(11-5-19)33-34(30,31)24-14-6-20(26)7-15-24/h4-15,18H,16-17H2,1-3H3,(H,27,29)