[3-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[isopropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[oxo(thiophen-2-yl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isopropyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C22H20F3NO4S2 MolecularWeight: 483.52371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H20F3NO4S2/c1-15(2)26(21(27)20-10-5-11-31-20)14-16-6-3-8-18(12-16)30-32(28,29)19-9-4-7-17(13-19)22(23,24)25/h3-13,15H,14H2,1-2H3