1-[(1R,2S)-1-(4-methylphenyl)sulfonyl-1-methylsulfanyl-propan-2-yl]adamantane

Systemtic Name: 1-[(1R,2S)-1-(4-methylphenyl)sulfonyl-1-methylsulfanyl-propan-2-yl]adamantane Openeye Name: 1-[(1S,2R)-1-methyl-2-methylsulfanyl-2-(p-tolylsulfonyl)ethyl]adamantane CAS Name: 1-[(1R,2S)-1-(4-methylphenyl)sulfonyl-1-(methylthio)propan-2-yl]adamantane IUPAC Name: 1-[(1R,2S)-1-(4-methylphenyl)sulfonyl-1-methylsulfanylpropan-2-yl]adamantane Traditional Name: 1-[(1S,2R)-1-methyl-2-(methylthio)-2-tosyl-ethyl]adamantane Formula: C21H30O2S2 MolecularWeight: 378.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(C)C23CC4CC(C2)CC(C4)C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H]([C@@H](C)C23CC4CC(C2)CC(C4)C3)SC

InChI

InChI=1S/C21H30O2S2/c1-14-4-6-19(7-5-14)25(22,23)20(24-3)15(2)21-11-16-8-17(12-21)10-18(9-16)13-21/h4-7,15-18,20H,8-13H2,1-3H3/t15-,16?,17?,18?,20-,21?/m1/s1