4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbutanoic acid

Systemtic Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbutanoic acid Openeye Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbutanoic acid CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]butanoic acid IUPAC Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbutanoic acid Traditional Name: 4-[4-(2-pyrimidyl)piperazino]sulfonylbutyric acid Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCC(=O)O

InChI

InChI=1S/C12H18N4O4S/c17-11(18)3-1-10-21(19,20)16-8-6-15(7-9-16)12-13-4-2-5-14-12/h2,4-5H,1,3,6-10H2,(H,17,18)