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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(methylthio)nicotinamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-15-9-10-16(22-19(24)17-8-7-11-21-20(17)27-2)14-18(15)28(25,26)23-12-5-3-4-6-13-23/h7-11,14H,3-6,12-13H2,1-2H3,(H,22,24)