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

Systemtic Name: [5-[[2,2-dimethylpropanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2,2-dimethylpropanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[(2,2-dimethyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[2,2-dimethylpropanoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isobutyl(pivaloyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H30FNO5S MolecularWeight: 451.551403

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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)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)C

InChI

InChI=1S/C23H30FNO5S/c1-16(2)14-25(22(26)23(3,4)5)15-17-7-12-20(29-6)21(13-17)30-31(27,28)19-10-8-18(24)9-11-19/h7-13,16H,14-15H2,1-6H3