3-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3,4-dimethyl-5-(2-oxo-2-ureido-ethyl)sulfonyl-benzoic acid CAS Name: 3-[2-(carbamoylamino)-2-oxoethyl]sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-[2-(carbamoylamino)-2-oxoethyl]sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-(2-keto-2-ureido-ethyl)sulfonyl-4,5-dimethyl-benzoic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC(=O)NC(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC(=O)NC(=O)N)C

InChI

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