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

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H19F3N2O5S MolecularWeight: 468.44617

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O5S/c22-21(23,24)15-4-3-5-16(12-15)32(28,29)26-10-8-14(9-11-26)20(27)30-13-19-25-17-6-1-2-7-18(17)31-19/h1-7,12,14H,8-11,13H2