2,5-bis(chloranyl)-3-(methylsulfonylmethylamino)benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-(methylsulfonylmethylamino)benzoic acid Openeye Name: 2,5-dichloro-3-(methylsulfonylmethylamino)benzoic acid CAS Name: 2,5-dichloro-3-(methylsulfonylmethylamino)benzoic acid IUPAC Name: 2,5-dichloro-3-(methylsulfonylmethylamino)benzoic acid Traditional Name: 2,5-dichloro-3-(mesylmethylamino)benzoic acid Formula: C9H9Cl2NO4S MolecularWeight: 298.14306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CNC1=C(C(=CC(=C1)Cl)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)CNC1=C(C(=CC(=C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C9H9Cl2NO4S/c1-17(15,16)4-12-7-3-5(10)2-6(8(7)11)9(13)14/h2-3,12H,4H2,1H3,(H,13,14)