[5-[[(2-fluorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [5-[[(2-fluorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[(2-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[[(2-fluorophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[(2-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H26FNO7S MolecularWeight: 503.539843

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3F

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H26FNO7S/c1-31-15-14-27(25(28)21-6-4-5-7-22(21)26)17-18-8-13-23(33-3)24(16-18)34-35(29,30)20-11-9-19(32-2)10-12-20/h4-13,16H,14-15,17H2,1-3H3