2,4-bis(chloranyl)-5-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]sulfamoyl]benzoic acid Openeye Name: 5-[[(1S)-1-carboxy-3-methyl-butyl]sulfamoyl]-2,4-dichloro-benzoic acid CAS Name: 2,4-dichloro-5-[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]sulfamoyl]benzoic acid Traditional Name: 5-[[(1S)-1-carboxy-3-methyl-butyl]sulfamoyl]-2,4-dichloro-benzoic acid Formula: C13H15Cl2NO6S MolecularWeight: 384.2323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO6S/c1-6(2)3-10(13(19)20)16-23(21,22)11-4-7(12(17)18)8(14)5-9(11)15/h4-6,10,16H,3H2,1-2H3,(H,17,18)(H,19,20)/t10-/m0/s1