4-methylsulfonyl-2-[[4-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-2-phenyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[[4-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-[2-(hydroxyamino)-2-oxo-ethoxy]-2-phenyl-benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[2-(hydroxyamino)-2-oxoethoxy]-2-phenylphenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[2-(hydroxyamino)-2-oxoethoxy]-2-phenylbenzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[2-(hydroxyamino)-2-keto-ethoxy]-2-phenyl-benzoyl]amino]-4-mesyl-butyric acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)OCC(=O)NO)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)OCC(=O)NO)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O8S/c1-31(28,29)10-9-17(20(25)26)21-19(24)15-8-7-14(30-12-18(23)22-27)11-16(15)13-5-3-2-4-6-13/h2-8,11,17,27H,9-10,12H2,1H3,(H,21,24)(H,22,23)(H,25,26)