2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C19H22N4O3S2/c1-3-5-14-7-6-13(12-20)19(23-14)27-17(4-2)18(24)22-15-8-10-16(11-9-15)28(21,25)26/h6-11,17H,3-5H2,1-2H3,(H,22,24)(H2,21,25,26)