ethyl 3-[3-(pyridin-3-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoate

Systemtic Name: ethyl 3-[3-(pyridin-3-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoate Openeye Name: ethyl 3-[3-(3-pyridylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoate CAS Name: 3-[3-(3-pyridinylmethyl)-5-[2-(1-pyrrolidinylsulfonylamino)ethyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(pyridin-3-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoate Traditional Name: 3-[3-(3-pyridylmethyl)-5-[2-(pyrrolidinosulfonylamino)ethyl]phenyl]propionic acid ethyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCNS(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCNS(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H31N3O4S/c1-2-30-23(27)8-7-19-14-20(9-11-25-31(28,29)26-12-3-4-13-26)16-22(15-19)17-21-6-5-10-24-18-21/h5-6,10,14-16,18,25H,2-4,7-9,11-13,17H2,1H3