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

Systemtic Name: [2-[[2-methylpropanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[2-methylpropanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[(2-methyl-1-oxopropyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[2-methylpropanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[isobutyryl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H26FNO5S MolecularWeight: 435.508943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO5S/c1-16(2)22(25)24(15-19-7-5-13-28-19)14-17-6-3-4-8-21(17)29-30(26,27)20-11-9-18(23)10-12-20/h3-4,6,8-12,16,19H,5,7,13-15H2,1-2H3