4-methoxy-3-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[(1S)-1-carboxy-2-methyl-propyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[[(1S)-1-carboxy-2-methyl-propyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C13H17NO7S MolecularWeight: 331.34158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO7S/c1-7(2)11(13(17)18)14-22(19,20)10-6-8(12(15)16)4-5-9(10)21-3/h4-7,11,14H,1-3H3,(H,15,16)(H,17,18)/t11-/m0/s1