ethyl 3-(4-pyridin-4-yloxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: ethyl 3-(4-pyridin-4-yloxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: ethyl 3-[4-(4-pyridyloxy)phenyl]sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylate CAS Name: 3-(4-pyridin-4-yloxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-pyridin-4-yloxyphenyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 3-[4-(4-pyridyloxy)phenyl]sulfonyl-3-azabicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(C2)N1S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1C2CCC(C2)N1S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4

InChI

InChI=1S/C20H22N2O5S/c1-2-26-20(23)19-14-3-4-15(13-14)22(19)28(24,25)18-7-5-16(6-8-18)27-17-9-11-21-12-10-17/h5-12,14-15,19H,2-4,13H2,1H3