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

Systemtic Name: ethyl 3-[3-[2-(phenylsulfonyl)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(benzenesulfonyl)ethyl]-5-(3-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-(benzenesulfonyl)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(benzenesulfonyl)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-(2-besylethyl)-5-(3-pyridylmethyl)phenyl]propionic acid ethyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4S/c1-2-30-25(27)11-10-20-15-21(12-14-31(28,29)24-8-4-3-5-9-24)17-23(16-20)18-22-7-6-13-26-19-22/h3-9,13,15-17,19H,2,10-12,14,18H2,1H3