3-azanyl-4-[(4-carboxyphenyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 3-azanyl-4-[(4-carboxyphenyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-amino-4-(4-carboxyanilino)-5-sulfamoyl-benzoic acid CAS Name: 3-amino-4-(4-carboxyanilino)-5-sulfamoylbenzoic acid IUPAC Name: 3-amino-4-(4-carboxyanilino)-5-sulfamoylbenzoic acid Traditional Name: 3-amino-4-(4-carboxyanilino)-5-sulfamoyl-benzoic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N

InChI

InChI=1S/C14H13N3O6S/c15-10-5-8(14(20)21)6-11(24(16,22)23)12(10)17-9-3-1-7(2-4-9)13(18)19/h1-6,17H,15H2,(H,18,19)(H,20,21)(H2,16,22,23)