6-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-2-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-2-methyl-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-(4-chlorophenyl)sulfonyl-3-piperidyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-(4-chlorophenyl)sulfonyl-3-piperidinyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-(4-chlorophenyl)sulfonyl-3-piperidyl]-2-methyl-1H-pyrimidin-4-one Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC(=O)C=C(N1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O3S/c1-11-18-15(9-16(21)19-11)12-3-2-8-20(10-12)24(22,23)14-6-4-13(17)5-7-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,19,21)/t12-/m0/s1