N-(2-cyano-4,5-dimethoxy-phenyl)-2-oxidanylidene-3H-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-oxidanylidene-3H-1,3-benzothiazole-6-sulfonamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-oxo-3H-1,3-benzothiazole-6-sulfonamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-oxo-3H-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-oxo-3H-1,3-benzothiazole-6-sulfonamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-keto-3H-1,3-benzothiazole-6-sulfonamide Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3)OC

InChI

InChI=1S/C16H13N3O5S2/c1-23-13-5-9(8-17)12(7-14(13)24-2)19-26(21,22)10-3-4-11-15(6-10)25-16(20)18-11/h3-7,19H,1-2H3,(H,18,20)