3-[[butan-2-yl(methyl)sulfamoyl]methyl]benzoic acid

Systemtic Name: 3-[[butan-2-yl(methyl)sulfamoyl]methyl]benzoic acid Openeye Name: 3-[[methyl(sec-butyl)sulfamoyl]methyl]benzoic acid CAS Name: 3-[[butan-2-yl(methyl)sulfamoyl]methyl]benzoic acid IUPAC Name: 3-[[butan-2-yl(methyl)sulfamoyl]methyl]benzoic acid Traditional Name: 3-[[methyl(sec-butyl)sulfamoyl]methyl]benzoic acid Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)S(=O)(=O)CC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCC(C)N(C)S(=O)(=O)CC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H19NO4S/c1-4-10(2)14(3)19(17,18)9-11-6-5-7-12(8-11)13(15)16/h5-8,10H,4,9H2,1-3H3,(H,15,16)