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

Systemtic Name: [5-[[(3,5-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(3,5-dimethoxybenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(3,5-dimethoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3,5-dimethoxybenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(3,5-dimethoxybenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C26H28FNO7S MolecularWeight: 517.566423

Click to see the large picture

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(=CC(=C3)OC)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(=CC(=C3)OC)OC

InChI

InChI=1S/C26H28FNO7S/c1-17(2)28(26(29)19-13-21(32-3)15-22(14-19)33-4)16-18-6-11-24(34-5)25(12-18)35-36(30,31)23-9-7-20(27)8-10-23/h6-15,17H,16H2,1-5H3