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

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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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(C)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S2/c1-4-28(5-2)25-26-22-16-13-20(17-23(22)33-25)32-24(29)18-11-14-21(15-12-18)34(30,31)27(3)19-9-7-6-8-10-19/h6-17H,4-5H2,1-3H3