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

Systemtic Name: 3-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-[(3-cyano-6-propyl-2-pyridyl)thio]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]propionamide Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C22H23N5O4S2/c1-3-4-17-6-5-16(14-23)22(25-17)32-12-11-21(28)24-18-7-9-19(10-8-18)33(29,30)27-20-13-15(2)31-26-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,24,28)(H,26,27)