(1S,3R,4R,5S,6R)-3-(4-fluorophenyl)-8-methyl-6-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-8-azabicyclo[3.2.1]octan-2-one

Systemtic Name: (1S,3R,4R,5S,6R)-3-(4-fluorophenyl)-8-methyl-6-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-8-azabicyclo[3.2.1]octan-2-one Openeye Name: (1S,3R,4R,5S,6R)-3-(4-fluorophenyl)-8-methyl-4-phenyl-6-[(R)-p-tolylsulfinyl]-8-azabicyclo[3.2.1]octan-2-one CAS Name: (1S,3R,4R,5S,6R)-3-(4-fluorophenyl)-8-methyl-6-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-8-azabicyclo[3.2.1]octan-2-one IUPAC Name: (1S,3R,4R,5S,6R)-3-(4-fluorophenyl)-8-methyl-6-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-8-azabicyclo[3.2.1]octan-2-one Traditional Name: (1S,3R,4R,5S,6R)-3-(4-fluorophenyl)-8-methyl-4-phenyl-6-[(R)-p-tolylsulfinyl]-8-azabicyclo[3.2.1]octan-2-one Formula: C27H26FNO2S MolecularWeight: 447.564243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2CC3C(=O)C(C(C2N3C)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)[C@@H]2C[C@H]3C(=O)[C@H]([C@@H]([C@@H]2N3C)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FNO2S/c1-17-8-14-21(15-9-17)32(31)23-16-22-27(30)25(19-10-12-20(28)13-11-19)24(26(23)29(22)2)18-6-4-3-5-7-18/h3-15,22-26H,16H2,1-2H3/t22-,23+,24-,25-,26+,32-/m0/s1