3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-N-(4-sulfamoylphenyl)propionamide Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H20N4O4S2/c1-30-18-7-2-15(3-8-18)20-11-4-16(14-23)22(26-20)31-13-12-21(27)25-17-5-9-19(10-6-17)32(24,28)29/h2-11H,12-13H2,1H3,(H,25,27)(H2,24,28,29)