3-azanyl-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-azanyl-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-amino-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-amino-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-amino-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-amino-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoyl-benzoic acid Formula: C13H12N2O5S MolecularWeight: 313.340589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N)[2H])[2H]

InChI

InChI=1S/C13H12N2O5S/c14-10-6-8(13(16)17)7-11(21(15,18)19)12(10)20-9-4-2-1-3-5-9/h1-7H,14H2,(H,16,17)(H2,15,18,19)/i1D,2D,3D,4D,5D