[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H23N5O5S2/c1-25(2)33(29,30)14-8-9-18(26-10-3-4-11-26)15(12-14)21(28)31-13-19(27)22-16-6-5-7-17-20(16)24-32-23-17/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,22,27)