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

Systemtic Name: 1-[(4-methylphenyl)methylsulfonyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: 1-[(4-methylphenyl)methylsulfonyl]-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(4-methylbenzyl)sulfonyl-isonipecotamide Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3S2/c1-19-7-9-21(10-8-19)18-30(27,28)25-14-11-22(12-15-25)23(26)24-13-16-29-17-20-5-3-2-4-6-20/h2-10,22H,11-18H2,1H3,(H,24,26)