4-methyl-2-oxidanyl-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate

Systemtic Name: 4-methyl-2-oxidanyl-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate Openeye Name: 2-hydroxy-4-methyl-5-[[(1S)-1-methylbutyl]sulfamoyl]benzoate CAS Name: 2-hydroxy-4-methyl-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate IUPAC Name: 2-hydroxy-4-methyl-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate Traditional Name: 2-hydroxy-4-methyl-5-[[(1S)-1-methylbutyl]sulfamoyl]benzoate Formula: C13H18NO5S- MolecularWeight: 300.35072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)[O-])O)C

Isomeric SMILES

CCC[C@H](C)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)[O-])O)C

InChI

InChI=1S/C13H19NO5S/c1-4-5-9(3)14-20(18,19)12-7-10(13(16)17)11(15)6-8(12)2/h6-7,9,14-15H,4-5H2,1-3H3,(H,16,17)/p-1/t9-/m0/s1