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

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl-(2-methylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl-(2-methylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl(o-toluoyl)amino]methyl]phenyl] ester Formula: C25H26FNO6S MolecularWeight: 487.540443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H26FNO6S/c1-18-6-4-5-7-22(18)25(28)27(14-15-31-2)17-19-8-13-23(32-3)24(16-19)33-34(29,30)21-11-9-20(26)10-12-21/h4-13,16H,14-15,17H2,1-3H3