ethyl 3-[3-[3-(phenylsulfonyl)propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-[3-(phenylsulfonyl)propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-[3-(benzenesulfonyl)propyl]-5-(3-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[3-(benzenesulfonyl)propyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[3-(benzenesulfonyl)propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-(3-besylpropyl)-5-(3-pyridylmethyl)phenyl]propionic acid ethyl ester Formula: C26H29NO4S MolecularWeight: 451.57776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO4S/c1-2-31-26(28)13-12-22-16-21(17-24(18-22)19-23-8-6-14-27-20-23)9-7-15-32(29,30)25-10-4-3-5-11-25/h3-6,8,10-11,14,16-18,20H,2,7,9,12-13,15,19H2,1H3