ethyl 3-[3-[2-(propylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-[2-(propylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(propylsulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-(propylsulfonylamino)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(propylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-[2-(propylsulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid ethyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCCC1=CC(=CC(=C1)CCC(=O)OCC)CC2=CN=CC=C2

Isomeric SMILES

CCCS(=O)(=O)NCCC1=CC(=CC(=C1)CCC(=O)OCC)CC2=CN=CC=C2

InChI

InChI=1S/C22H30N2O4S/c1-3-12-29(26,27)24-11-9-19-13-18(7-8-22(25)28-4-2)14-21(15-19)16-20-6-5-10-23-17-20/h5-6,10,13-15,17,24H,3-4,7-9,11-12,16H2,1-2H3