3-[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 4-methyl-3-(1-methyl-2-oxo-2-ureido-ethyl)sulfonyl-benzoic acid CAS Name: 3-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-(2-keto-1-methyl-2-ureido-ethyl)sulfonyl-4-methyl-benzoic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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