3-(azepan-1-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(methylthio)phenyl]benzamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O3S2/c1-26-19-12-5-4-11-18(19)21-20(23)16-9-8-10-17(15-16)27(24,25)22-13-6-2-3-7-14-22/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,21,23)