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

Systemtic Name: 3-[butan-2-yl(ethyl)sulfamoyl]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-[ethyl(sec-butyl)sulfamoyl]benzoic acid CAS Name: 3-[butan-2-yl(ethyl)sulfamoyl]-4-chlorobenzoic acid IUPAC Name: 3-[butan-2-yl(ethyl)sulfamoyl]-4-chlorobenzoic acid Traditional Name: 4-chloro-3-[ethyl(sec-butyl)sulfamoyl]benzoic acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO4S/c1-4-9(3)15(5-2)20(18,19)12-8-10(13(16)17)6-7-11(12)14/h6-9H,4-5H2,1-3H3,(H,16,17)