2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]-N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]-N-[2-(4-mesylpiperazino)phenyl]acetamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O4S2/c1-16-12-17(14-31-2)18(13-23)22(24-16)32-15-21(28)25-19-6-4-5-7-20(19)26-8-10-27(11-9-26)33(3,29)30/h4-7,12H,8-11,14-15H2,1-3H3,(H,25,28)