N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C21H25N5O4S2/c1-4-5-10-23-21(28)26-32(29,30)17-8-6-16(7-9-17)25-19(27)13-31-20-18(12-22)14(2)11-15(3)24-20/h6-9,11H,4-5,10,13H2,1-3H3,(H,25,27)(H2,23,26,28)