3-[butan-2-yl(methyl)sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[butan-2-yl(methyl)sulfamoyl]-4-methyl-benzoic acid Openeye Name: 4-methyl-3-[methyl(sec-butyl)sulfamoyl]benzoic acid CAS Name: 3-[butan-2-yl(methyl)sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[butan-2-yl(methyl)sulfamoyl]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[methyl(sec-butyl)sulfamoyl]benzoic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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