4-methyl-3-[[(2S)-pentan-2-yl]sulfamoyl]benzoate

Systemtic Name: 4-methyl-3-[[(2S)-pentan-2-yl]sulfamoyl]benzoate Openeye Name: 4-methyl-3-[[(1S)-1-methylbutyl]sulfamoyl]benzoate CAS Name: 4-methyl-3-[[(2S)-pentan-2-yl]sulfamoyl]benzoate IUPAC Name: 4-methyl-3-[[(2S)-pentan-2-yl]sulfamoyl]benzoate Traditional Name: 4-methyl-3-[[(1S)-1-methylbutyl]sulfamoyl]benzoate Formula: C13H18NO4S- MolecularWeight: 284.35132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-4-5-10(3)14-19(17,18)12-8-11(13(15)16)7-6-9(12)2/h6-8,10,14H,4-5H2,1-3H3,(H,15,16)/p-1/t10-/m0/s1