2,4-bis(chloranyl)-5-sulfamoyl-benzoate; pyridin-2-ylmethylazanium

Systemtic Name: 2,4-bis(chloranyl)-5-sulfamoyl-benzoate; pyridin-2-ylmethylazanium Openeye Name: 2,4-dichloro-5-sulfamoyl-benzoate; 2-pyridylmethylammonium CAS Name: 2,4-dichloro-5-sulfamoylbenzoate; 2-pyridinylmethylammonium IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoate; pyridin-2-ylmethylazanium Traditional Name: 2,4-dichloro-5-sulfamoyl-benzoate; 2-pyridylmethylammonium Formula: C13H13Cl2N3O4S MolecularWeight: 378.23102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C[NH3+].C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C[NH3+].C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C7H5Cl2NO4S.C6H8N2/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12;7-5-6-3-1-2-4-8-6/h1-2H,(H,11,12)(H2,10,13,14);1-4H,5,7H2