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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C20H32N2O3S2 MolecularWeight: 412.60968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3S2/c1-16-6-5-7-17(14-16)15-27(24,25)22-11-8-18(9-12-22)19(23)21-10-13-26-20(2,3)4/h5-7,14,18H,8-13,15H2,1-4H3,(H,21,23)