[3-[[(4-fluorophenyl)methyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-fluorophenyl)methyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-fluorophenyl)methyl-(2-methylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(4-fluorophenyl)methyl-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-fluorophenyl)methyl-(2-methylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-fluorobenzyl)-o-toluoyl-amino]methyl]phenyl] ester Formula: C28H23F2NO4S MolecularWeight: 507.548326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)F)CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)F)CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H23F2NO4S/c1-20-5-2-3-8-27(20)28(32)31(18-21-9-11-23(29)12-10-21)19-22-6-4-7-25(17-22)35-36(33,34)26-15-13-24(30)14-16-26/h2-17H,18-19H2,1H3