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

Systemtic Name: 2-(4-methoxyphenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)-1-piperidyl]ethanone CAS Name: 2-(4-methoxyphenyl)-1-[3-(5-methylsulfonyl-4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(4-methoxyphenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 1-[3-(5-mesylpyrimidin-4-yl)piperidino]-2-(4-methoxyphenyl)ethanone Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCC(C2)C3=NC=NC=C3S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCC(C2)C3=NC=NC=C3S(=O)(=O)C

InChI

InChI=1S/C19H23N3O4S/c1-26-16-7-5-14(6-8-16)10-18(23)22-9-3-4-15(12-22)19-17(27(2,24)25)11-20-13-21-19/h5-8,11,13,15H,3-4,9-10,12H2,1-2H3