N-[1,3-bis[(4-methylphenyl)sulfonylsulfanyl]propan-2-yl]-N-cyclohexyl-cyclohexanamine

Systemtic Name: N-[1,3-bis[(4-methylphenyl)sulfonylsulfanyl]propan-2-yl]-N-cyclohexyl-cyclohexanamine Openeye Name: N-cyclohexyl-N-[2-(p-tolylsulfonylsulfanyl)-1-(p-tolylsulfonylsulfanylmethyl)ethyl]cyclohexanamine CAS Name: N-[1,3-bis[(4-methylphenyl)sulfonylthio]propan-2-yl]-N-cyclohexylcyclohexanamine IUPAC Name: N-[1,3-bis[(4-methylphenyl)sulfonylsulfanyl]propan-2-yl]-N-cyclohexylcyclohexanamine Traditional Name: dicyclohexyl-[2-(tosylthio)-1-[(tosylthio)methyl]ethyl]amine Formula: C29H41NO4S4 MolecularWeight: 595.90014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SCC(CSS(=O)(=O)C2=CC=C(C=C2)C)N(C3CCCCC3)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SCC(CSS(=O)(=O)C2=CC=C(C=C2)C)N(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C29H41NO4S4/c1-23-13-17-28(18-14-23)37(31,32)35-21-27(22-36-38(33,34)29-19-15-24(2)16-20-29)30(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h13-20,25-27H,3-12,21-22H2,1-2H3