3-[3-(pyridin-4-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoic acid

Systemtic Name: 3-[3-(pyridin-4-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoic acid Openeye Name: 3-[3-(4-pyridylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoic acid CAS Name: 3-[3-(pyridin-4-ylmethyl)-5-[2-(1-pyrrolidinylsulfonylamino)ethyl]phenyl]propanoic acid IUPAC Name: 3-[3-(pyridin-4-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoic acid Traditional Name: 3-[3-(4-pyridylmethyl)-5-[2-(pyrrolidinosulfonylamino)ethyl]phenyl]propionic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)NCCC2=CC(=CC(=C2)CCC(=O)O)CC3=CC=NC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)NCCC2=CC(=CC(=C2)CCC(=O)O)CC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O4S/c25-21(26)4-3-18-14-19(7-10-23-29(27,28)24-11-1-2-12-24)16-20(15-18)13-17-5-8-22-9-6-17/h5-6,8-9,14-16,23H,1-4,7,10-13H2,(H,25,26)