3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-[4-(ethanoylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-[4-(ethanoylsulfamoyl)phenyl]propanamide Openeye Name: N-[4-(acetylsulfamoyl)phenyl]-3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[4-(acetylsulfamoyl)phenyl]-3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-[4-(acetylsulfamoyl)phenyl]-3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-[4-(acetylsulfamoyl)phenyl]-3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]propionamide Formula: C27H26N6O4S2 MolecularWeight: 562.66314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C)N)C#N

InChI

InChI=1S/C27H26N6O4S2/c1-16(2)18-4-6-19(7-5-18)25-22(14-28)26(30)32-27(23(25)15-29)38-13-12-24(35)31-20-8-10-21(11-9-20)39(36,37)33-17(3)34/h4-11,16H,12-13H2,1-3H3,(H2,30,32)(H,31,35)(H,33,34)