ethyl 3-[4-(4-methoxyphenyl)phenyl]sulfonyl-3-azabicyclo[2.2.2]octane-2-carboxylate

Systemtic Name: ethyl 3-[4-(4-methoxyphenyl)phenyl]sulfonyl-3-azabicyclo[2.2.2]octane-2-carboxylate Openeye Name: ethyl 3-[4-(4-methoxyphenyl)phenyl]sulfonyl-3-azabicyclo[2.2.2]octane-2-carboxylate CAS Name: 3-[4-(4-methoxyphenyl)phenyl]sulfonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methoxyphenyl)phenyl]sulfonyl-3-azabicyclo[2.2.2]octane-2-carboxylate Traditional Name: 3-[4-(4-methoxyphenyl)phenyl]sulfonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(N1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC)CC2

Isomeric SMILES

CCOC(=O)C1C2CCC(N1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC)CC2

InChI

InChI=1S/C23H27NO5S/c1-3-29-23(25)22-18-4-10-19(11-5-18)24(22)30(26,27)21-14-8-17(9-15-21)16-6-12-20(28-2)13-7-16/h6-9,12-15,18-19,22H,3-5,10-11H2,1-2H3