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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C21H18N6O6S2 MolecularWeight: 514.53422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H18N6O6S2/c1-33-17-12-15(27(29)30)13-18-19(17)24-21(34-18)25-20(28)14-4-6-16(7-5-14)35(31,32)26(10-2-8-22)11-3-9-23/h4-7,12-13H,2-3,10-11H2,1H3,(H,24,25,28)