O-[2-[[ethyl-(4-methylphenyl)sulfonyl-amino]methyl]-5-phenylmethoxy-cyclohexyl] methylsulfanylmethanethioate

Systemtic Name: O-[2-[[ethyl-(4-methylphenyl)sulfonyl-amino]methyl]-5-phenylmethoxy-cyclohexyl] methylsulfanylmethanethioate Openeye Name: O-[5-benzyloxy-2-[[ethyl(p-tolylsulfonyl)amino]methyl]cyclohexyl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[2-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-5-phenylmethoxycyclohexyl] ester IUPAC Name: O-[2-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-5-phenylmethoxycyclohexyl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[5-benzoxy-2-[[ethyl(tosyl)amino]methyl]cyclohexyl] ester Formula: C25H33NO4S3 MolecularWeight: 507.72882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC(CC1OC(=S)SC)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC1CCC(CC1OC(=S)SC)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H33NO4S3/c1-4-26(33(27,28)23-14-10-19(2)11-15-23)17-21-12-13-22(16-24(21)30-25(31)32-3)29-18-20-8-6-5-7-9-20/h5-11,14-15,21-22,24H,4,12-13,16-18H2,1-3H3