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

Systemtic Name: 3-[3-[3-(phenylsulfonyl)propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-[3-(benzenesulfonyl)propyl]-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[3-(benzenesulfonyl)propyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[3-(benzenesulfonyl)propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-(3-besylpropyl)-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCC2=CC(=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCC2=CC(=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C24H25NO4S/c26-24(27)11-10-20-14-19(15-22(16-20)17-21-6-4-12-25-18-21)7-5-13-30(28,29)23-8-2-1-3-9-23/h1-4,6,8-9,12,14-16,18H,5,7,10-11,13,17H2,(H,26,27)