N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(methylthio)nicotinamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C23H30N4O4S2/c1-32-23-19(7-6-10-24-23)22(28)25-20-17-18(33(29,30)27-13-15-31-16-14-27)8-9-21(20)26-11-4-2-3-5-12-26/h6-10,17H,2-5,11-16H2,1H3,(H,25,28)