1,3-benzothiazol-2-ylmethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H19F3N2O4S2 MolecularWeight: 484.51177

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H19F3N2O4S2/c22-21(23,24)15-5-1-4-8-18(15)32(28,29)26-11-9-14(10-12-26)20(27)30-13-19-25-16-6-2-3-7-17(16)31-19/h1-8,14H,9-13H2