[3-[[2-methylpropyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methylpropyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methylpropyl-(1-oxo-2-thiophen-2-ylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C23H24FNO4S2 MolecularWeight: 461.569363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=CS3

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=CS3

InChI

InChI=1S/C23H24FNO4S2/c1-17(2)15-25(23(26)14-21-7-4-12-30-21)16-18-5-3-6-20(13-18)29-31(27,28)22-10-8-19(24)9-11-22/h3-13,17H,14-16H2,1-2H3