[5-[[(2,6-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(2,6-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(2,6-dimethoxybenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(2,6-dimethoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,6-dimethoxybenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(2,6-dimethoxybenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C26H28FNO7S MolecularWeight: 517.566423

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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=CC=C3OC)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=CC=C3OC)OC

InChI

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