3-[3-[2-(piperidin-1-ylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-[2-(piperidin-1-ylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-[2-(1-piperidylsulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[2-(1-piperidinylsulfonylamino)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[2-(piperidin-1-ylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-[2-(piperidinosulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)NCCC2=CC(=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)NCCC2=CC(=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C22H29N3O4S/c26-22(27)7-6-18-13-19(15-21(14-18)16-20-5-4-9-23-17-20)8-10-24-30(28,29)25-11-2-1-3-12-25/h4-5,9,13-15,17,24H,1-3,6-8,10-12,16H2,(H,26,27)