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

Systemtic Name: 3-[butan-2-yl(methyl)sulfamoyl]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-[methyl(sec-butyl)sulfamoyl]benzoic acid CAS Name: 3-[butan-2-yl(methyl)sulfamoyl]-4-chlorobenzoic acid IUPAC Name: 3-[butan-2-yl(methyl)sulfamoyl]-4-chlorobenzoic acid Traditional Name: 4-chloro-3-[methyl(sec-butyl)sulfamoyl]benzoic acid Formula: C12H16ClNO4S MolecularWeight: 305.77774

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO4S/c1-4-8(2)14(3)19(17,18)11-7-9(12(15)16)5-6-10(11)13/h5-8H,4H2,1-3H3,(H,15,16)