1-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]cyclohexanecarboxylic acid CAS Name: 1-[[4-[5-(4-fluorophenyl)-2-pyrimidinyl]-1-piperazinyl]sulfonylmethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazino]sulfonylmethyl]cyclohexanecarboxylic acid Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CS(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CS(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H27FN4O4S/c23-19-6-4-17(5-7-19)18-14-24-21(25-15-18)26-10-12-27(13-11-26)32(30,31)16-22(20(28)29)8-2-1-3-9-22/h4-7,14-15H,1-3,8-13,16H2,(H,28,29)