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

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Openeye Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid [2-(4-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C25H26N6O4S2 MolecularWeight: 538.64174

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(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

CN1CCN(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/C25H26N6O4S2/c1-29-14-16-30(17-15-29)25-28-22-9-6-20(18-23(22)36-25)35-24(32)19-4-7-21(8-5-19)37(33,34)31(12-2-10-26)13-3-11-27/h4-9,18H,2-3,12-17H2,1H3