3-(1-oxidanylbutan-2-ylsulfamoylmethyl)benzoic acid

Systemtic Name: 3-(1-oxidanylbutan-2-ylsulfamoylmethyl)benzoic acid Openeye Name: 3-[1-(hydroxymethyl)propylsulfamoylmethyl]benzoic acid CAS Name: 3-(1-hydroxybutan-2-ylsulfamoylmethyl)benzoic acid IUPAC Name: 3-(1-hydroxybutan-2-ylsulfamoylmethyl)benzoic acid Traditional Name: 3-(1-methylolpropylsulfamoylmethyl)benzoic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NS(=O)(=O)CC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCC(CO)NS(=O)(=O)CC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H17NO5S/c1-2-11(7-14)13-19(17,18)8-9-4-3-5-10(6-9)12(15)16/h3-6,11,13-14H,2,7-8H2,1H3,(H,15,16)