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

Systemtic Name: 4-[2-phenyl-4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 4-[4-(2-isopropylphenyl)sulfanyl-2-phenyl-3-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid CAS Name: 4-[2-phenyl-4-[(2-propan-2-ylphenyl)thio]-3-(trifluoromethyl)-4-pyrimidinyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[2-phenyl-4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 4-[4-(o-cumenylthio)-2-phenyl-3-(trifluoromethyl)pyrimidin-4-yl]nipecotic acid Formula: C26H28F3N3O2S MolecularWeight: 503.57963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2(C=CN=C(N2C(F)(F)F)C3=CC=CC=C3)C4CCNCC4C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2(C=CN=C(N2C(F)(F)F)C3=CC=CC=C3)C4CCNCC4C(=O)O

InChI

InChI=1S/C26H28F3N3O2S/c1-17(2)19-10-6-7-11-22(19)35-25(21-12-14-30-16-20(21)24(33)34)13-15-31-23(32(25)26(27,28)29)18-8-4-3-5-9-18/h3-11,13,15,17,20-21,30H,12,14,16H2,1-2H3,(H,33,34)