4-(1,1,2,2,3,3-hexadeuteriobutylcarbamoylsulfamoyl)benzoic acid

Systemtic Name: 4-(1,1,2,2,3,3-hexadeuteriobutylcarbamoylsulfamoyl)benzoic acid Openeye Name: 4-(1,1,2,2,3,3-hexadeuteriobutylcarbamoylsulfamoyl)benzoic acid CAS Name: 4-[[(1,1,2,2,3,3-hexadeuteriobutylamino)-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 4-(1,1,2,2,3,3-hexadeuteriobutylcarbamoylsulfamoyl)benzoic acid Traditional Name: 4-(1,1,2,2,3,3-hexadeuteriobutylcarbamoylsulfamoyl)benzoic acid Formula: C12H16N2O5S MolecularWeight: 306.367811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

[2H]C([2H])(C)C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-2-3-8-13-12(17)14-20(18,19)10-6-4-9(5-7-10)11(15)16/h4-7H,2-3,8H2,1H3,(H,15,16)(H2,13,14,17)/i2D2,3D2,8D2