N-(2-cyclohexylsulfanylethyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(cyclohexylthio)ethyl]-1-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-1-(4-methylbenzyl)sulfonyl-isonipecotamide Formula: C22H34N2O3S2 MolecularWeight: 438.64696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSC3CCCCC3

InChI

InChI=1S/C22H34N2O3S2/c1-18-7-9-19(10-8-18)17-29(26,27)24-14-11-20(12-15-24)22(25)23-13-16-28-21-5-3-2-4-6-21/h7-10,20-21H,2-6,11-17H2,1H3,(H,23,25)