4-chloranyl-3-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(1-carboxy-3-methylsulfanyl-propyl)sulfamoyl]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)sulfamoyl]benzoic acid Traditional Name: 3-[[1-carboxy-3-(methylthio)propyl]sulfamoyl]-4-chloro-benzoic acid Formula: C12H14ClNO6S2 MolecularWeight: 367.82566

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C12H14ClNO6S2/c1-21-5-4-9(12(17)18)14-22(19,20)10-6-7(11(15)16)2-3-8(10)13/h2-3,6,9,14H,4-5H2,1H3,(H,15,16)(H,17,18)