[3-[[(2,6-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(2,6-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2,6-dimethoxybenzoyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2,6-dimethoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2,6-dimethoxybenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2,6-dimethoxybenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C25H26FNO6S MolecularWeight: 487.540443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C=CC=C3OC)OC

InChI

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