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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCSC3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCSC3CCCCC3

InChI

InChI=1S/C22H34N2O3S2/c1-18-7-5-6-8-20(18)17-29(26,27)24-14-11-19(12-15-24)22(25)23-13-16-28-21-9-3-2-4-10-21/h5-8,19,21H,2-4,9-17H2,1H3,(H,23,25)