[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO5S/c1-5-17-8-10-18(11-9-17)21(24)16(3)27-20(23)14-22(4)28(25,26)19-12-6-15(2)7-13-19/h6-13,16H,5,14H2,1-4H3/t16-/m0/s1