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

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C20H24N4O3S2/c1-3-5-6-15-8-7-14(13-21)20(24-15)28-18(4-2)19(25)23-16-9-11-17(12-10-16)29(22,26)27/h7-12,18H,3-6H2,1-2H3,(H,23,25)(H2,22,26,27)