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

Systemtic Name: 3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoyl-benzoic acid Formula: C17H20N2O5S MolecularWeight: 369.446909

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)/i4D,5D,6D,7D,8D