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

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H21N5O4S2/c1-26(2)22-25-19-10-7-17(15-20(19)32-22)31-21(28)16-5-8-18(9-6-16)33(29,30)27(13-3-11-23)14-4-12-24/h5-10,15H,3-4,13-14H2,1-2H3