N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)C)C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)C)C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28N4O3S2/c1-14-8-9-18(12-19(14)30(27,28)25-10-6-5-7-11-25)24-20(26)13-29-21-22-16(3)15(2)17(4)23-21/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,24,26)