4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)OC

InChI

InChI=1S/C22H21N5O5S2/c1-31-16-13-18(32-2)20-19(14-16)33-22(25-20)26-21(28)15-5-7-17(8-6-15)34(29,30)27(11-3-9-23)12-4-10-24/h5-8,13-14H,3-4,11-12H2,1-2H3,(H,25,26,28)