3-(azepan-1-ylcarbonyl)-4-methylsulfanyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methylsulfanyl-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methylsulfanyl-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-(methylthio)-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methylsulfanyl-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-(methylthio)-N-(2-pyridylmethyl)benzenesulfonamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)C(=O)N3CCCCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-27-19-10-9-17(28(25,26)22-15-16-8-4-5-11-21-16)14-18(19)20(24)23-12-6-2-3-7-13-23/h4-5,8-11,14,22H,2-3,6-7,12-13,15H2,1H3