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

Systemtic Name: 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-[2-(diethylsulfamoylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)NCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)NCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

InChI

InChI=1S/C21H29N3O4S/c1-3-24(4-2)29(27,28)23-11-9-18-12-17(7-8-21(25)26)13-20(14-18)15-19-6-5-10-22-16-19/h5-6,10,12-14,16,23H,3-4,7-9,11,15H2,1-2H3,(H,25,26)