2-(cyanomethylsulfanyl)-N-(3-methylquinolin-8-yl)sulfonyl-ethanamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3-methylquinolin-8-yl)sulfonyl-ethanamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[(3-methyl-8-quinolyl)sulfonyl]acetamide CAS Name: 2-(cyanomethylthio)-N-[(3-methyl-8-quinolinyl)sulfonyl]acetamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(3-methylquinolin-8-yl)sulfonylacetamide Traditional Name: 2-(cyanomethylthio)-N-[(3-methyl-8-quinolyl)sulfonyl]acetamide Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC(=O)CSCC#N

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC(=O)CSCC#N

InChI

InChI=1S/C14H13N3O3S2/c1-10-7-11-3-2-4-12(14(11)16-8-10)22(19,20)17-13(18)9-21-6-5-15/h2-4,7-8H,6,9H2,1H3,(H,17,18)