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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methylsulfanyl-N-pyridin-3-yl-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methylsulfanyl-N-(3-pyridyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-(methylthio)-N-(3-pyridinyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methylsulfanyl-N-pyridin-3-ylbenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-(methylthio)-N-(3-pyridyl)benzenesulfonamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=CC=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CN=CC=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N3O3S2/c1-26-18-9-8-16(27(24,25)21-15-7-6-10-20-14-15)13-17(18)19(23)22-11-4-2-3-5-12-22/h6-10,13-14,21H,2-5,11-12H2,1H3