2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C26H28N6O3S2 MolecularWeight: 536.66892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=C(CCCCCC4)C=C3C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=C(CCCCCC4)C=C3C#N

InChI

InChI=1S/C26H28N6O3S2/c1-2-23(36-25-19(17-27)16-18-8-5-3-4-6-9-22(18)31-25)24(33)30-20-10-12-21(13-11-20)37(34,35)32-26-28-14-7-15-29-26/h7,10-16,23H,2-6,8-9H2,1H3,(H,30,33)(H,28,29,32)