4-[(4-methylphenyl)sulfonyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[(4-methylphenyl)sulfonyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(hydroxyamino)-2-oxo-ethyl]-(p-tolylsulfonyl)amino]butanoic acid CAS Name: 4-[[2-(hydroxyamino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[[2-(hydroxyamino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[[2-(hydroxyamino)-2-keto-ethyl]-tosyl-amino]butyric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)CC(=O)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)CC(=O)NO

InChI

InChI=1S/C13H18N2O6S/c1-10-4-6-11(7-5-10)22(20,21)15(9-12(16)14-19)8-2-3-13(17)18/h4-7,19H,2-3,8-9H2,1H3,(H,14,16)(H,17,18)