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

Systemtic Name: 3-[3-[2-(phenylsulfonyl)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-[2-(benzenesulfonyl)ethyl]-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[2-(benzenesulfonyl)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[2-(benzenesulfonyl)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-(2-besylethyl)-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC2=CC(=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC2=CC(=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C23H23NO4S/c25-23(26)9-8-18-13-19(10-12-29(27,28)22-6-2-1-3-7-22)15-21(14-18)16-20-5-4-11-24-17-20/h1-7,11,13-15,17H,8-10,12,16H2,(H,25,26)