4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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