[2-methoxy-5-[[phenylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[phenylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[benzoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[benzoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[benzoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[benzoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H24FNO5S MolecularWeight: 457.514463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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