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

Systemtic Name: [2-methoxy-5-[[(4-methoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isopropyl-(4-methoxybenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[[(4-methoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methoxybenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isopropyl(p-anisoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H26FNO6S MolecularWeight: 487.540443

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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=C(C=C3)OC

Isomeric SMILES

CC(C)N(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/C25H26FNO6S/c1-17(2)27(25(28)19-6-10-21(31-3)11-7-19)16-18-5-14-23(32-4)24(15-18)33-34(29,30)22-12-8-20(26)9-13-22/h5-15,17H,16H2,1-4H3