4-[4-(4-fluorophenyl)-2-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-5-oxidanylidene-pyrazol-1-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-(4-fluorophenyl)-2-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-5-oxidanylidene-pyrazol-1-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(4-fluorophenyl)-2-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-5-oxo-pyrazol-1-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-(4-fluorophenyl)-2-methyl-3-(2-methylsulfonyl-4-pyrimidinyl)-5-oxo-1-pyrazolyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(4-fluorophenyl)-2-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-5-oxopyrazol-1-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(4-fluorophenyl)-5-keto-3-(2-mesylpyrimidin-4-yl)-2-methyl-3-pyrazolin-1-yl]piperidine-1-carboxylic acid Formula: C21H22FN5O5S MolecularWeight: 475.493283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2CCN(CC2)C(=O)O)C3=CC=C(C=C3)F)C4=NC(=NC=C4)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C(=O)N1C2CCN(CC2)C(=O)O)C3=CC=C(C=C3)F)C4=NC(=NC=C4)S(=O)(=O)C

InChI

InChI=1S/C21H22FN5O5S/c1-25-18(16-7-10-23-20(24-16)33(2,31)32)17(13-3-5-14(22)6-4-13)19(28)27(25)15-8-11-26(12-9-15)21(29)30/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,29,30)