4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-mesyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H21N5O5S3 MolecularWeight: 531.62764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H21N5O5S3/c1-26-19-10-9-18(34(2,29)30)15-20(19)33-22(26)25-21(28)16-5-7-17(8-6-16)35(31,32)27(13-3-11-23)14-4-12-24/h5-10,15H,3-4,13-14H2,1-2H3