(2-acetamido-1,3-thiazol-4-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C19H20F3N3O5S2 MolecularWeight: 491.50441

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O5S2/c1-12(26)23-18-24-15(11-31-18)10-30-17(27)13-5-7-25(8-6-13)32(28,29)16-4-2-3-14(9-16)19(20,21)22/h2-4,9,11,13H,5-8,10H2,1H3,(H,23,24,26)