ethyl 3-[3-(2-oxidanyl-1-pyridin-3-yl-ethyl)-5-[1-(phenylsulfonylamino)ethyl]phenyl]propanoate

Systemtic Name: ethyl 3-[3-(2-oxidanyl-1-pyridin-3-yl-ethyl)-5-[1-(phenylsulfonylamino)ethyl]phenyl]propanoate Openeye Name: ethyl 3-[3-[1-(benzenesulfonamido)ethyl]-5-[2-hydroxy-1-(3-pyridyl)ethyl]phenyl]propanoate CAS Name: 3-[3-[1-(benzenesulfonamido)ethyl]-5-[2-hydroxy-1-(3-pyridinyl)ethyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[1-(benzenesulfonamido)ethyl]-5-(2-hydroxy-1-pyridin-3-ylethyl)phenyl]propanoate Traditional Name: 3-[3-[1-(benzenesulfonamido)ethyl]-5-[2-hydroxy-1-(3-pyridyl)ethyl]phenyl]propionic acid ethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)C(C)NS(=O)(=O)C2=CC=CC=C2)C(CO)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)C(C)NS(=O)(=O)C2=CC=CC=C2)C(CO)C3=CN=CC=C3

InChI

InChI=1S/C26H30N2O5S/c1-3-33-26(30)12-11-20-14-22(19(2)28-34(31,32)24-9-5-4-6-10-24)16-23(15-20)25(18-29)21-8-7-13-27-17-21/h4-10,13-17,19,25,28-29H,3,11-12,18H2,1-2H3