3-[[(2S)-pentan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[(2S)-pentan-2-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[(1S)-1-methylbutyl]sulfamoyl]benzoic acid CAS Name: 3-[[(2S)-pentan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 3-[[(2S)-pentan-2-yl]sulfamoyl]benzoic acid Traditional Name: 3-[[(1S)-1-methylbutyl]sulfamoyl]benzoic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-3-5-9(2)13-18(16,17)11-7-4-6-10(8-11)12(14)15/h4,6-9,13H,3,5H2,1-2H3,(H,14,15)/t9-/m0/s1