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

Systemtic Name: 3-[3-[2-(propylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-[2-(propylsulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[2-(propylsulfonylamino)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[2-(propylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-[2-(propylsulfonylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-2-10-27(25,26)22-9-7-17-11-16(5-6-20(23)24)12-19(13-17)14-18-4-3-8-21-15-18/h3-4,8,11-13,15,22H,2,5-7,9-10,14H2,1H3,(H,23,24)