[4-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[(3,4,5-trimethoxybenzoyl)amino]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]phenyl] ester IUPAC Name: [4-[(3,4,5-trimethoxybenzoyl)amino]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[(3,4,5-trimethoxybenzoyl)amino]phenyl] ester Formula: C22H20FNO7S MolecularWeight: 461.460103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FNO7S/c1-28-19-12-14(13-20(29-2)21(19)30-3)22(25)24-16-6-8-17(9-7-16)31-32(26,27)18-10-4-15(23)5-11-18/h4-13H,1-3H3,(H,24,25)