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

Systemtic Name: 4-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[5-(4-fluorophenyl)-2-pyrimidinyl]-1-piperazinyl]sulfonylmethyl]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazino]sulfonylmethyl]tetrahydropyran-4-carboxylic acid Formula: C21H25FN4O5S MolecularWeight: 464.510403

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CS(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1COCCC1(CS(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C21H25FN4O5S/c22-18-3-1-16(2-4-18)17-13-23-20(24-14-17)25-7-9-26(10-8-25)32(29,30)15-21(19(27)28)5-11-31-12-6-21/h1-4,13-14H,5-12,15H2,(H,27,28)