4-chloranyl-3-[[(2R)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]sulfamoyl]benzoate

Systemtic Name: 4-chloranyl-3-[[(2R)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]sulfamoyl]benzoate Openeye Name: 3-[[(1R)-1-carboxylato-3-methylsulfanyl-propyl]sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[[(2R)-4-(methylthio)-1-oxido-1-oxobutan-2-yl]sulfamoyl]benzoate IUPAC Name: 4-chloro-3-[[(2R)-4-methylsulfanyl-1-oxido-1-oxobutan-2-yl]sulfamoyl]benzoate Traditional Name: 3-[[(1R)-1-carboxylato-3-(methylthio)propyl]sulfamoyl]-4-chloro-benzoate Formula: C12H12ClNO6S2-2 MolecularWeight: 365.80978

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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

CSCC[C@H](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)/p-2/t9-/m1/s1