3-[butan-2-yl(methyl)sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[butan-2-yl(methyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3,4-dimethyl-5-[methyl(sec-butyl)sulfamoyl]benzoic acid CAS Name: 3-[butan-2-yl(methyl)sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[butan-2-yl(methyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3,4-dimethyl-5-[methyl(sec-butyl)sulfamoyl]benzoic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)S(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

Isomeric SMILES

CCC(C)N(C)S(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

InChI

InChI=1S/C14H21NO4S/c1-6-10(3)15(5)20(18,19)13-8-12(14(16)17)7-9(2)11(13)4/h7-8,10H,6H2,1-5H3,(H,16,17)