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

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C20H23NO6S/c1-14-8-10-16(11-9-14)28(24,25)13-12-19(22)27-15(2)20(23)21-17-6-4-5-7-18(17)26-3/h4-11,15H,12-13H2,1-3H3,(H,21,23)/t15-/m0/s1