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

Systemtic Name: [3-[[(2-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[[(2-fluorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-fluorobenzoyl)-propan-2-ylamino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C24H24FNO5S MolecularWeight: 457.514463

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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)OC)C(=O)C3=CC=CC=C3F

Isomeric SMILES

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

InChI

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