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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide Formula: C20H18N6O5S3 MolecularWeight: 518.58912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H18N6O5S3/c21-9-1-11-26(12-2-10-22)34(30,31)15-5-3-14(4-6-15)19(27)25-20-24-17-8-7-16(33(23,28)29)13-18(17)32-20/h3-8,13H,1-2,11-12H2,(H2,23,28,29)(H,24,25,27)