4-[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid

Systemtic Name: 4-[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid Openeye Name: 4-[1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 4-[2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]sulfonylbenzoic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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