[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-15-9-11-17(12-10-15)27(24,25)14-13-18(22)26-19(20(23)21(2)3)16-7-5-4-6-8-16/h4-12,19H,13-14H2,1-3H3/t19-/m1/s1