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

Systemtic Name: [3-[[(2-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2-fluorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-fluorobenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C23H21F2NO4S MolecularWeight: 445.478946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H21F2NO4S/c1-16(2)26(23(27)21-8-3-4-9-22(21)25)15-17-6-5-7-19(14-17)30-31(28,29)20-12-10-18(24)11-13-20/h3-14,16H,15H2,1-2H3