4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[1-(4-mesylphenyl)ethylamino]butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-9(14-12(15)7-8-13(16)17)10-3-5-11(6-4-10)20(2,18)19/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)