[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-15-9-10-19(13-16(15)2)28(25,26)12-11-21(24)27-14-20(23)22-17(3)18-7-5-4-6-8-18/h4-10,13,17H,11-12,14H2,1-3H3,(H,22,23)/t17-/m1/s1