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

Systemtic Name: 3-[3-[2-(methylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-[2-(methanesulfonamido)ethyl]-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[2-(methanesulfonamido)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[2-(methanesulfonamido)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-[2-(methanesulfonamido)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

Isomeric SMILES

CS(=O)(=O)NCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

InChI

InChI=1S/C18H22N2O4S/c1-25(23,24)20-8-6-15-9-14(4-5-18(21)22)10-17(11-15)12-16-3-2-7-19-13-16/h2-3,7,9-11,13,20H,4-6,8,12H2,1H3,(H,21,22)