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

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-[bis(2-cyanoethyl)sulfamoyl]benzoate CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C24H23N5O5S2 MolecularWeight: 525.59992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C24H23N5O5S2/c25-9-1-11-29(12-2-10-26)36(31,32)20-6-3-18(4-7-20)23(30)34-19-5-8-21-22(17-19)35-24(27-21)28-13-15-33-16-14-28/h3-8,17H,1-2,11-16H2