[2-methoxy-5-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[3-methylbutanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[(3-methyl-1-oxobutyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isovaleryl(tetrahydrofurfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H30FNO6S MolecularWeight: 479.561503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1CCCO1)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)N(CC1CCCO1)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H30FNO6S/c1-17(2)13-24(27)26(16-20-5-4-12-31-20)15-18-6-11-22(30-3)23(14-18)32-33(28,29)21-9-7-19(25)8-10-21/h6-11,14,17,20H,4-5,12-13,15-16H2,1-3H3