1-(4-piperidin-1-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-piperidin-1-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1-piperidylsulfonyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(1-piperidinylsulfonyl)phenyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-piperidinosulfonylphenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C20H25N3O3S2/c1-14-15(2)21-20(22-16(14)3)27-13-19(24)17-7-9-18(10-8-17)28(25,26)23-11-5-4-6-12-23/h7-10H,4-6,11-13H2,1-3H3