5-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfonyl-2,4-dimethyl-benzoic acid

Systemtic Name: 5-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfonyl-2,4-dimethyl-benzoic acid Openeye Name: 2,4-dimethyl-5-(2-oxo-2-ureido-ethyl)sulfonyl-benzoic acid CAS Name: 5-[2-(carbamoylamino)-2-oxoethyl]sulfonyl-2,4-dimethylbenzoic acid IUPAC Name: 5-[2-(carbamoylamino)-2-oxoethyl]sulfonyl-2,4-dimethylbenzoic acid Traditional Name: 5-(2-keto-2-ureido-ethyl)sulfonyl-2,4-dimethyl-benzoic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)NC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)NC(=O)N)C

InChI

InChI=1S/C12H14N2O6S/c1-6-3-7(2)9(4-8(6)11(16)17)21(19,20)5-10(15)14-12(13)18/h3-4H,5H2,1-2H3,(H,16,17)(H3,13,14,15,18)