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

Systemtic Name: [2-methoxy-5-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isobutyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[(2-methyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isobutyl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H28FNO5S MolecularWeight: 437.524823

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28FNO5S/c1-15(2)13-24(22(25)16(3)4)14-17-6-11-20(28-5)21(12-17)29-30(26,27)19-9-7-18(23)8-10-19/h6-12,15-16H,13-14H2,1-5H3