3-methylsulfanyl-1-[(3S)-3-(4-phenylphenyl)carbonylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-methylsulfanyl-1-[(3S)-3-(4-phenylphenyl)carbonylpiperidin-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)-1-piperidyl]propan-1-one CAS Name: 3-(methylthio)-1-[(3S)-3-[oxo-(4-phenylphenyl)methyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(methylthio)-1-[(3S)-3-(4-phenylbenzoyl)piperidino]propan-1-one Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(=O)N1CCC[C@@H](C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO2S/c1-26-15-13-21(24)23-14-5-8-20(16-23)22(25)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3/t20-/m0/s1