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

Systemtic Name: [4-[[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2-methoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isobutyl-[(2-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=CC=C3OC

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3OC

InChI

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