N-(2-cyclohexylsulfanylethyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(cyclohexylthio)ethyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C22H34N2O3S2 MolecularWeight: 438.64696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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