ethyl (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethylamino]phenyl]propanoate

Systemtic Name: ethyl (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethylamino]phenyl]propanoate Openeye Name: ethyl (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethylamino]phenyl]propanoate CAS Name: (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethylamino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethylamino]phenyl]propanoate Traditional Name: (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethylamino]phenyl]propionic acid ethyl ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)OCC

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)NCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)OCC

InChI

InChI=1S/C22H29NO6S/c1-4-27-21(22(24)28-5-2)16-18-6-10-19(11-7-18)23-15-14-17-8-12-20(13-9-17)29-30(3,25)26/h6-13,21,23H,4-5,14-16H2,1-3H3/t21-/m0/s1