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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C21H22N6O3S2 MolecularWeight: 470.56778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3S2/c1-14-5-6-17(10-18(14)32(29,30)27-7-3-2-4-8-27)25-19(28)13-31-21-16(12-23)9-15(11-22)20(24)26-21/h5-6,9-10H,2-4,7-8,13H2,1H3,(H2,24,26)(H,25,28)