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

Systemtic Name: ethyl 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid ethyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4S/c1-4-26(5-2)31(28,29)25-13-11-20-14-19(9-10-23(27)30-6-3)15-22(16-20)17-21-8-7-12-24-18-21/h7-8,12,14-16,18,25H,4-6,9-11,13,17H2,1-3H3