3-(azepan-1-ylcarbonyl)-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methylsulfanyl-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-(methylthio)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-(methylthio)benzenesulfonamide Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCCCC2

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCCCC2

InChI

InChI=1S/C14H20N2O3S2/c1-20-13-7-6-11(21(15,18)19)10-12(13)14(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H2,15,18,19)