3-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]-N-(4-sulfamoylphenyl)propionamide Formula: C25H24N6O6S2 MolecularWeight: 568.62466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N)C#N

InChI

InChI=1S/C25H24N6O6S2/c1-35-19-10-14(11-20(36-2)23(19)37-3)22-17(12-26)24(28)31-25(18(22)13-27)38-9-8-21(32)30-15-4-6-16(7-5-15)39(29,33)34/h4-7,10-11H,8-9H2,1-3H3,(H2,28,31)(H,30,32)(H2,29,33,34)