[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC(=O)NC

InChI

InChI=1S/C20H22N2O6S/c1-14-8-10-16(11-9-14)29(26,27)13-12-17(23)28-18(15-6-4-3-5-7-15)19(24)22-20(25)21-2/h3-11,18H,12-13H2,1-2H3,(H2,21,22,24,25)/t18-/m0/s1