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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-fluoranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide Formula: C20H16FN5O3S2 MolecularWeight: 457.501143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN5O3S2/c21-16-4-1-5-17-18(16)24-20(30-17)25-19(27)14-6-8-15(9-7-14)31(28,29)26(12-2-10-22)13-3-11-23/h1,4-9H,2-3,12-13H2,(H,24,25,27)