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

Systemtic Name: [2-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[3-methylbutanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[(3-methyl-1-oxobutyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[isovaleryl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C23H28FNO5S MolecularWeight: 449.535523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1CCCO1)CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)N(CC1CCCO1)CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FNO5S/c1-17(2)14-23(26)25(16-20-7-5-13-29-20)15-18-6-3-4-8-22(18)30-31(27,28)21-11-9-19(24)10-12-21/h3-4,6,8-12,17,20H,5,7,13-16H2,1-2H3