[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)NC(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)NC(=O)NC

InChI

InChI=1S/C15H20N2O6S/c1-10-4-6-12(7-5-10)24(21,22)9-8-13(18)23-11(2)14(19)17-15(20)16-3/h4-7,11H,8-9H2,1-3H3,(H2,16,17,19,20)/t11-/m0/s1