6-[1-(2-chloranyl-6-methyl-phenyl)sulfonylpiperidin-4-yl]-2-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[1-(2-chloranyl-6-methyl-phenyl)sulfonylpiperidin-4-yl]-2-methyl-1H-pyrimidin-4-one Openeye Name: 6-[1-(2-chloro-6-methyl-phenyl)sulfonyl-4-piperidyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[1-(2-chloro-6-methylphenyl)sulfonyl-4-piperidinyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-[1-(2-chloro-6-methyl-phenyl)sulfonyl-4-piperidyl]-2-methyl-1H-pyrimidin-4-one Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)S(=O)(=O)N2CCC(CC2)C3=CC(=O)N=C(N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)S(=O)(=O)N2CCC(CC2)C3=CC(=O)N=C(N3)C

InChI

InChI=1S/C17H20ClN3O3S/c1-11-4-3-5-14(18)17(11)25(23,24)21-8-6-13(7-9-21)15-10-16(22)20-12(2)19-15/h3-5,10,13H,6-9H2,1-2H3,(H,19,20,22)