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

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid [2-(4-ethyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C26H28N6O4S2 MolecularWeight: 552.66832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCN1CCN(CC1)C2=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/C26H28N6O4S2/c1-2-30-15-17-31(18-16-30)26-29-23-10-7-21(19-24(23)37-26)36-25(33)20-5-8-22(9-6-20)38(34,35)32(13-3-11-27)14-4-12-28/h5-10,19H,2-4,13-18H2,1H3