1-[4-[(3R)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[(3R)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[[(3R)-3-(4-methylsulfanylbenzoyl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[(3R)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[(3R)-3-[4-(methylthio)benzoyl]piperidino]sulfonylphenyl]ethanone Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23NO4S2/c1-15(23)16-7-11-20(12-8-16)28(25,26)22-13-3-4-18(14-22)21(24)17-5-9-19(27-2)10-6-17/h5-12,18H,3-4,13-14H2,1-2H3/t18-/m1/s1