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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C30H28N6O4S2 MolecularWeight: 600.71112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C30H28N6O4S2/c31-14-4-16-36(17-5-15-32)42(38,39)26-11-8-23(9-12-26)29(37)40-25-10-13-27-28(22-25)41-30(33-27)35-20-18-34(19-21-35)24-6-2-1-3-7-24/h1-3,6-13,22H,4-5,16-21H2