4-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-4-yl-piperidine-3-carboxylic acid

Systemtic Name: 4-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-4-yl-piperidine-3-carboxylic acid Openeye Name: 4-[4-(2-isopropylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-4-yl-piperidine-3-carboxylic acid CAS Name: 4-[4-[(2-propan-2-ylphenyl)thio]-3-(trifluoromethyl)phenyl]-1-(4-pyrimidinyl)-3-piperidinecarboxylic acid IUPAC Name: 4-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-4-ylpiperidine-3-carboxylic acid Traditional Name: 4-[4-(o-cumenylthio)-3-(trifluoromethyl)phenyl]-1-(4-pyrimidyl)nipecotic acid Formula: C26H26F3N3O2S MolecularWeight: 501.56375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C3CCN(CC3C(=O)O)C4=NC=NC=C4)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C3CCN(CC3C(=O)O)C4=NC=NC=C4)C(F)(F)F

InChI

InChI=1S/C26H26F3N3O2S/c1-16(2)18-5-3-4-6-22(18)35-23-8-7-17(13-21(23)26(27,28)29)19-10-12-32(14-20(19)25(33)34)24-9-11-30-15-31-24/h3-9,11,13,15-16,19-20H,10,12,14H2,1-2H3,(H,33,34)