5-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[2-(cyanomethylamino)-2-oxo-ethyl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[2-(cyanomethylamino)-2-oxoethyl]sulfonyl-2-methylbenzoic acid IUPAC Name: 5-[2-(cyanomethylamino)-2-oxoethyl]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[2-(cyanomethylamino)-2-keto-ethyl]sulfonyl-2-methyl-benzoic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC(=O)NCC#N)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC(=O)NCC#N)C(=O)O

InChI

InChI=1S/C12H12N2O5S/c1-8-2-3-9(6-10(8)12(16)17)20(18,19)7-11(15)14-5-4-13/h2-3,6H,5,7H2,1H3,(H,14,15)(H,16,17)