ethyl 3-[3-[2-(phenylsulfonylamino)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-[2-(phenylsulfonylamino)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(benzenesulfonamido)ethyl]-5-(4-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(benzenesulfonamido)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-(4-pyridylmethyl)phenyl]propionic acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CC=NC=C2)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CC=NC=C2)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4S/c1-2-31-25(28)9-8-21-17-22(19-23(18-21)16-20-10-13-26-14-11-20)12-15-27-32(29,30)24-6-4-3-5-7-24/h3-7,10-11,13-14,17-19,27H,2,8-9,12,15-16H2,1H3