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

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

InChI

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