2-(pyridin-3-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(pyridin-3-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 2-(3-pyridylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 2-(3-pyridinylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 2-(pyridin-3-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 2-(3-pyridylmethylamino)-5-sulfamoyl-benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C13H13N3O4S/c14-21(19,20)10-3-4-12(11(6-10)13(17)18)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2,(H,17,18)(H2,14,19,20)