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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[ethyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[benzyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[ethyl-(phenylmethyl)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-[benzyl(ethyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(ethyl)sulfamoyl]benzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C33H32N4O4S2 MolecularWeight: 612.76158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H32N4O4S2/c1-2-37(24-25-9-5-3-6-10-25)43(39,40)29-16-13-26(14-17-29)32(38)41-28-15-18-30-31(23-28)42-33(34-30)36-21-19-35(20-22-36)27-11-7-4-8-12-27/h3-18,23H,2,19-22,24H2,1H3