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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-28-20-9-5-4-8-19(20)22-21(24)16-27-17-10-12-18(13-11-17)29(25,26)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24)