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

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[bis(2-methylpropyl)sulfamoyl]benzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-(diisobutylsulfamoyl)benzoate CAS Name: 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[bis(2-methylpropyl)sulfamoyl]benzoate Traditional Name: 4-(diisobutylsulfamoyl)benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C26H35N3O4S2 MolecularWeight: 517.7038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC(C)C)CC(C)C

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC(C)C)CC(C)C

InChI

InChI=1S/C26H35N3O4S2/c1-7-28(8-2)26-27-23-14-11-21(15-24(23)34-26)33-25(30)20-9-12-22(13-10-20)35(31,32)29(16-18(3)4)17-19(5)6/h9-15,18-19H,7-8,16-17H2,1-6H3