3-[3-[2-(phenylsulfonylamino)ethyl]-5-(1-pyridin-3-ylethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-[2-(phenylsulfonylamino)ethyl]-5-(1-pyridin-3-ylethyl)phenyl]propanoic acid Openeye Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-[1-(3-pyridyl)ethyl]phenyl]propanoic acid CAS Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-[1-(3-pyridinyl)ethyl]phenyl]propanoic acid IUPAC Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-(1-pyridin-3-ylethyl)phenyl]propanoic acid Traditional Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-[1-(3-pyridyl)ethyl]phenyl]propionic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)C2=CC(=CC(=C2)CCNS(=O)(=O)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C1=CN=CC=C1)C2=CC(=CC(=C2)CCNS(=O)(=O)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-18(21-6-5-12-25-17-21)22-15-19(9-10-24(27)28)14-20(16-22)11-13-26-31(29,30)23-7-3-2-4-8-23/h2-8,12,14-18,26H,9-11,13H2,1H3,(H,27,28)