4-chloranyl-N-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(5-cyano-6-methylsulfanyl-2-pyridyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[[5-cyano-6-(methylthio)-2-pyridinyl]methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(5-cyano-6-methylsulfanylpyridin-2-yl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-[[5-cyano-6-(methylthio)-2-pyridyl]methyl]-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C20H21ClN4O3S2 MolecularWeight: 464.98874

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H21ClN4O3S2/c1-29-20-14(12-22)5-8-16(24-20)13-25(18-4-2-3-11-23-19(18)26)30(27,28)17-9-6-15(21)7-10-17/h5-10,18H,2-4,11,13H2,1H3,(H,23,26)