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

Systemtic Name: ethyl 3-[3-(pyridin-4-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoate Openeye Name: ethyl 3-[3-(4-pyridylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoate CAS Name: 3-[3-(pyridin-4-ylmethyl)-5-[2-(1-pyrrolidinylsulfonylamino)ethyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(pyridin-4-ylmethyl)-5-[2-(pyrrolidin-1-ylsulfonylamino)ethyl]phenyl]propanoate Traditional Name: 3-[3-(4-pyridylmethyl)-5-[2-(pyrrolidinosulfonylamino)ethyl]phenyl]propionic acid ethyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CC=NC=C2)CCNS(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CC=NC=C2)CCNS(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H31N3O4S/c1-2-30-23(27)6-5-20-16-21(9-12-25-31(28,29)26-13-3-4-14-26)18-22(17-20)15-19-7-10-24-11-8-19/h7-8,10-11,16-18,25H,2-6,9,12-15H2,1H3