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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-methylsulfanylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-methylsulfanylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-(methylthio)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-methylsulfanylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(methylthio)phenyl]benzamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c1-26-18-11-9-17(10-12-18)21-20(23)16-7-6-8-19(15-16)27(24,25)22-13-4-2-3-5-14-22/h6-12,15H,2-5,13-14H2,1H3,(H,21,23)