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

Systemtic Name: [2-methoxy-5-[[(4-methoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isobutyl-(4-methoxybenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[[(4-methoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isobutyl(p-anisoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H28FNO6S MolecularWeight: 501.567023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28FNO6S/c1-18(2)16-28(26(29)20-6-10-22(32-3)11-7-20)17-19-5-14-24(33-4)25(15-19)34-35(30,31)23-12-8-21(27)9-13-23/h5-15,18H,16-17H2,1-4H3