[2-methoxy-5-[[(2-methylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[(2-methylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isobutyl-(2-methylbenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[[(2-methylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(2-methylbenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isobutyl(o-toluoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H28FNO5S MolecularWeight: 485.567623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28FNO5S/c1-18(2)16-28(26(29)23-8-6-5-7-19(23)3)17-20-9-14-24(32-4)25(15-20)33-34(30,31)22-12-10-21(27)11-13-22/h5-15,18H,16-17H2,1-4H3