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

Systemtic Name: [3-[[propan-2-yl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(1-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C22H22FNO4S2 MolecularWeight: 447.542783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO4S2/c1-16(2)24(22(25)14-20-7-4-12-29-20)15-17-5-3-6-19(13-17)28-30(26,27)21-10-8-18(23)9-11-21/h3-13,16H,14-15H2,1-2H3