[4-[[(2-methoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(2-methoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isopropyl-(2-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2-methoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2-methoxybenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isopropyl(o-anisoyl)amino]methyl]phenyl] ester Formula: C24H24FNO5S MolecularWeight: 457.514463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C24H24FNO5S/c1-17(2)26(24(27)22-6-4-5-7-23(22)30-3)16-18-8-12-20(13-9-18)31-32(28,29)21-14-10-19(25)11-15-21/h4-15,17H,16H2,1-3H3