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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C20H16N6O5S2 MolecularWeight: 484.50824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6O5S2/c21-9-1-11-25(12-2-10-22)33(30,31)16-6-3-14(4-7-16)19(27)24-20-23-17-8-5-15(26(28)29)13-18(17)32-20/h3-8,13H,1-2,11-12H2,(H,23,24,27)