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

Systemtic Name: 5-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonyl-2-methylbenzoic acid IUPAC Name: 5-[2-(2-cyanoethylamino)-2-oxoethyl]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[2-(2-cyanoethylamino)-2-keto-ethyl]sulfonyl-2-methyl-benzoic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5S/c1-9-3-4-10(7-11(9)13(17)18)21(19,20)8-12(16)15-6-2-5-14/h3-4,7H,2,6,8H2,1H3,(H,15,16)(H,17,18)