[4-[[butan-2-yl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FNO4S2/c1-3-17(2)25(23(26)15-21-5-4-14-30-21)16-18-6-10-20(11-7-18)29-31(27,28)22-12-8-19(24)9-13-22/h4-14,17H,3,15-16H2,1-2H3