4-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)-2,1,3-benzoxadiazole-7-sulfonamide

Systemtic Name: 4-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)-2,1,3-benzoxadiazole-7-sulfonamide Openeye Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-2,1,3-benzoxadiazole-7-sulfonamide CAS Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)-2,1,3-benzoxadiazole-7-sulfonamide IUPAC Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-2,1,3-benzoxadiazole-7-sulfonamide Traditional Name: 7-chloro-N-(2-ketoazepan-3-yl)-N-veratryl-benzofurazan-4-sulfonamide Formula: C21H23ClN4O6S MolecularWeight: 494.94852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C4=NON=C34)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C4=NON=C34)Cl)OC

InChI

InChI=1S/C21H23ClN4O6S/c1-30-16-8-6-13(11-17(16)31-2)12-26(15-5-3-4-10-23-21(15)27)33(28,29)18-9-7-14(22)19-20(18)25-32-24-19/h6-9,11,15H,3-5,10,12H2,1-2H3,(H,23,27)