[2-methoxy-5-[[2-methylpropyl(phenylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(phenylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isobutyl(phenylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[anilino(oxo)methyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(phenylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isobutyl(phenylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H27FN2O5S MolecularWeight: 486.555683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H27FN2O5S/c1-18(2)16-28(25(29)27-21-7-5-4-6-8-21)17-19-9-14-23(32-3)24(15-19)33-34(30,31)22-12-10-20(26)11-13-22/h4-15,18H,16-17H2,1-3H3,(H,27,29)