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

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-methylpropyl)sulfamoyl]benzoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(diisobutylsulfamoyl)benzoate CAS Name: 4-[bis(2-methylpropyl)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-methylpropyl)sulfamoyl]benzoate Traditional Name: 4-(diisobutylsulfamoyl)benzoic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C28H38N4O4S2 MolecularWeight: 558.75572

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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(CC(C)C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O4S2/c1-6-30-13-15-31(16-14-30)28-29-25-12-9-23(17-26(25)37-28)36-27(33)22-7-10-24(11-8-22)38(34,35)32(18-20(2)3)19-21(4)5/h7-12,17,20-21H,6,13-16,18-19H2,1-5H3