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

Systemtic Name: [5-[[(2,4-dimethoxyphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(2,4-dimethoxyphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H28FNO8S MolecularWeight: 533.565823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN(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

COCCN(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/C26H28FNO8S/c1-32-14-13-28(26(29)22-11-8-20(33-2)16-24(22)35-4)17-18-5-12-23(34-3)25(15-18)36-37(30,31)21-9-6-19(27)7-10-21/h5-12,15-16H,13-14,17H2,1-4H3