(1R,5R,6S)-6-(4-methoxyphenyl)-7-(phenylsulfonyl)-7-azabicyclo[3.2.2]nonan-9-one

Systemtic Name: (1R,5R,6S)-6-(4-methoxyphenyl)-7-(phenylsulfonyl)-7-azabicyclo[3.2.2]nonan-9-one Openeye Name: (1R,5R,6S)-7-(benzenesulfonyl)-6-(4-methoxyphenyl)-7-azabicyclo[3.2.2]nonan-9-one CAS Name: (1R,5R,6S)-7-(benzenesulfonyl)-6-(4-methoxyphenyl)-7-azabicyclo[3.2.2]nonan-9-one IUPAC Name: (1R,5R,6S)-7-(benzenesulfonyl)-6-(4-methoxyphenyl)-7-azabicyclo[3.2.2]nonan-9-one Traditional Name: (1R,5R,6S)-7-besyl-6-(4-methoxyphenyl)-7-azabicyclo[3.2.2]nonan-9-one Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3CCCC(N2S(=O)(=O)C4=CC=CC=C4)CC3=O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H]3CCC[C@@H](N2S(=O)(=O)C4=CC=CC=C4)CC3=O

InChI

InChI=1S/C21H23NO4S/c1-26-17-12-10-15(11-13-17)21-19-9-5-6-16(14-20(19)23)22(21)27(24,25)18-7-3-2-4-8-18/h2-4,7-8,10-13,16,19,21H,5-6,9,14H2,1H3/t16-,19+,21-/m1/s1