2-(4-chlorophenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-chlorophenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(4-chlorophenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)-1-piperidyl]ethanone CAS Name: 2-(4-chlorophenyl)-1-[3-(5-methylsulfonyl-4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(4-chlorophenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-(4-chlorophenyl)-1-[3-(5-mesylpyrimidin-4-yl)piperidino]ethanone Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=CN=C1C2CCCN(C2)C(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CN=CN=C1C2CCCN(C2)C(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O3S/c1-26(24,25)16-10-20-12-21-18(16)14-3-2-8-22(11-14)17(23)9-13-4-6-15(19)7-5-13/h4-7,10,12,14H,2-3,8-9,11H2,1H3