[5-[[butan-2-yl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-(3,3-dimethyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[3,3-dimethylbutanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H32FNO5S MolecularWeight: 465.577983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32FNO5S/c1-7-17(2)26(23(27)15-24(3,4)5)16-18-8-13-21(30-6)22(14-18)31-32(28,29)20-11-9-19(25)10-12-20/h8-14,17H,7,15-16H2,1-6H3