4-(phenylmethyl)-1-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(phenylmethyl)-1-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-(phenylmethyl)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-isonipecotic acid Formula: C20H20F3NO5S MolecularWeight: 443.43671

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H20F3NO5S/c21-20(22,23)29-16-6-8-17(9-7-16)30(27,28)24-12-10-19(11-13-24,18(25)26)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,25,26)