4-chloranyl-3-[methyl(pentyl)sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[methyl(pentyl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[methyl(pentyl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[methyl(pentyl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[methyl(pentyl)sulfamoyl]benzoic acid Traditional Name: 3-[amyl(methyl)sulfamoyl]-4-chloro-benzoic acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CCCCCN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

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