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

Systemtic Name: [3-[[(2-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-(2-methylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2-methylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-methylbenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl(o-toluoyl)amino]methyl]phenyl] ester Formula: C24H24FNO4S MolecularWeight: 441.515063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FNO4S/c1-17(2)26(24(27)23-10-5-4-7-18(23)3)16-19-8-6-9-21(15-19)30-31(28,29)22-13-11-20(25)12-14-22/h4-15,17H,16H2,1-3H3