O-[(2S,3R,6R)-2-methyl-1-(4-methylphenyl)sulfonyl-6-propyl-piperidin-3-yl] methylsulfanylmethanethioate

Systemtic Name: O-[(2S,3R,6R)-2-methyl-1-(4-methylphenyl)sulfonyl-6-propyl-piperidin-3-yl] methylsulfanylmethanethioate Openeye Name: O-[(2S,3R,6R)-2-methyl-6-propyl-1-(p-tolylsulfonyl)-3-piperidyl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(2S,3R,6R)-2-methyl-1-(4-methylphenyl)sulfonyl-6-propyl-3-piperidinyl] ester IUPAC Name: O-[(2S,3R,6R)-2-methyl-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(2S,3R,6R)-2-methyl-6-propyl-1-tosyl-3-piperidyl] ester Formula: C18H27NO3S3 MolecularWeight: 401.60688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C)OC(=S)SC

Isomeric SMILES

CCC[C@@H]1CC[C@H]([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C)OC(=S)SC

InChI

InChI=1S/C18H27NO3S3/c1-5-6-15-9-12-17(22-18(23)24-4)14(3)19(15)25(20,21)16-10-7-13(2)8-11-16/h7-8,10-11,14-15,17H,5-6,9,12H2,1-4H3/t14-,15+,17+/m0/s1