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

Systemtic Name: [4-chloranyl-2-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[3-methylbutanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[(3-methyl-1-oxobutyl)-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3-methylbutanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[isovaleryl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C23H27ClFNO5S MolecularWeight: 483.980583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClFNO5S/c1-16(2)12-23(27)26(15-20-4-3-11-30-20)14-17-13-18(24)5-10-22(17)31-32(28,29)21-8-6-19(25)7-9-21/h5-10,13,16,20H,3-4,11-12,14-15H2,1-2H3