1-[2-propan-2-ylsulfonyl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-propan-2-ylsulfonyl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-isopropylsulfonyl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid CAS Name: 1-[2-propan-2-ylsulfonyl-5-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-propan-2-ylsulfonyl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-isopropylsulfonyl-5-(trifluoromethyl)phenyl]isonipecotic acid Formula: C16H20F3NO4S MolecularWeight: 379.39451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H20F3NO4S/c1-10(2)25(23,24)14-4-3-12(16(17,18)19)9-13(14)20-7-5-11(6-8-20)15(21)22/h3-4,9-11H,5-8H2,1-2H3,(H,21,22)