1-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-one

Systemtic Name: 1-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-one Openeye Name: 1-[4-(5-chloro-2-pyridyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-one CAS Name: 1-[[4-(5-chloro-2-pyridinyl)-1-piperazinyl]sulfonyl]-5-(2-pyrimidinyl)-2-pentanone IUPAC Name: 1-[4-(5-chloropyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one Traditional Name: 1-[4-(5-chloro-2-pyridyl)piperazino]sulfonyl-5-(2-pyrimidyl)pentan-2-one Formula: C18H22ClN5O3S MolecularWeight: 423.91698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Cl)S(=O)(=O)CC(=O)CCCC3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Cl)S(=O)(=O)CC(=O)CCCC3=NC=CC=N3

InChI

InChI=1S/C18H22ClN5O3S/c19-15-5-6-18(22-13-15)23-9-11-24(12-10-23)28(26,27)14-16(25)3-1-4-17-20-7-2-8-21-17/h2,5-8,13H,1,3-4,9-12,14H2