[3-[[(3,5-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(3,5-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3,5-dimethoxybenzoyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3,5-dimethoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dimethoxybenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3,5-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=CC(=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

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