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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C(=O)O)(CS(=O)(=O)N2CCNCC2)C3=NC=C(C=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COC(CC1C(=O)O)(CS(=O)(=O)N2CCNCC2)C3=NC=C(C=N3)C4=CC=C(C=C4)F

InChI

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