1-[4-(5-chloranylpyridin-2-yl)oxypiperidin-1-yl]sulfonyl-4-pyrimidin-2-yl-butan-2-one

Systemtic Name: 1-[4-(5-chloranylpyridin-2-yl)oxypiperidin-1-yl]sulfonyl-4-pyrimidin-2-yl-butan-2-one Openeye Name: 1-[[4-[(5-chloro-2-pyridyl)oxy]-1-piperidyl]sulfonyl]-4-pyrimidin-2-yl-butan-2-one CAS Name: 1-[[4-[(5-chloro-2-pyridinyl)oxy]-1-piperidinyl]sulfonyl]-4-(2-pyrimidinyl)-2-butanone IUPAC Name: 1-[4-(5-chloropyridin-2-yl)oxypiperidin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-one Traditional Name: 1-[4-[(5-chloro-2-pyridyl)oxy]piperidino]sulfonyl-4-(2-pyrimidyl)butan-2-one Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=NC=C(C=C2)Cl)S(=O)(=O)CC(=O)CCC3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1OC2=NC=C(C=C2)Cl)S(=O)(=O)CC(=O)CCC3=NC=CC=N3

InChI

InChI=1S/C18H21ClN4O4S/c19-14-2-5-18(22-12-14)27-16-6-10-23(11-7-16)28(25,26)13-15(24)3-4-17-20-8-1-9-21-17/h1-2,5,8-9,12,16H,3-4,6-7,10-11,13H2