2-methyl-5-[[(2R)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 2-methyl-5-[[(2R)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]sulfamoyl]benzoic acid Openeye Name: 5-[[(1R)-1-carboxy-3-methylsulfanyl-propyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[(2R)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[(2R)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[(1R)-1-carboxy-3-(methylthio)propyl]sulfamoyl]-2-methyl-benzoic acid Formula: C13H17NO6S2 MolecularWeight: 347.40718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@H](CCSC)C(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO6S2/c1-8-3-4-9(7-10(8)12(15)16)22(19,20)14-11(13(17)18)5-6-21-2/h3-4,7,11,14H,5-6H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1