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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(methylthio)phenyl]benzamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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