2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[3-(methylthio)phenyl]acetamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-28-19-8-6-7-17(15-19)22-21(24)16-27-18-9-11-20(12-10-18)29(25,26)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3,(H,22,24)