3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]propionamide Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C23H25N5O4S2/c1-3-4-5-18-7-6-17(15-24)23(26-18)33-13-12-22(29)25-19-8-10-20(11-9-19)34(30,31)28-21-14-16(2)32-27-21/h6-11,14H,3-5,12-13H2,1-2H3,(H,25,29)(H,27,28)