[4-[[(2-fluorophenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[[(2-fluorophenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[(2-fluorobenzoyl)-isobutyl-amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[[(2-fluorophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[(2-fluorobenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FNO5S/c1-18(2)16-27(25(28)23-6-4-5-7-24(23)26)17-19-8-10-21(11-9-19)32-33(29,30)22-14-12-20(31-3)13-15-22/h4-15,18H,16-17H2,1-3H3