[(2S)-2-ethoxy-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propyl] methanesulfonate

Systemtic Name: [(2S)-2-ethoxy-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propyl] methanesulfonate Openeye Name: [(2S)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propyl] methanesulfonate CAS Name: methanesulfonic acid [(2S)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propyl] ester IUPAC Name: [(2S)-2-ethoxy-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propyl] methanesulfonate Traditional Name: methanesulfonic acid [(2S)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propyl] ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(COS(=O)(=O)C)OCC

Isomeric SMILES

CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)C[C@@H](COS(=O)(=O)C)OCC

InChI

InChI=1S/C21H29NO5S/c1-4-17-6-9-19(22-15-17)12-13-26-20-10-7-18(8-11-20)14-21(25-5-2)16-27-28(3,23)24/h6-11,15,21H,4-5,12-14,16H2,1-3H3/t21-/m0/s1