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

Systemtic Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Openeye Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(o-tolylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-[(2-methylphenyl)methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)sulfonyl-N-[2-[(2-methylbenzyl)thio]ethyl]isonipecotamide Formula: C23H29FN2O3S2 MolecularWeight: 464.616363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H29FN2O3S2/c1-18-4-2-3-5-21(18)16-30-15-12-25-23(27)20-10-13-26(14-11-20)31(28,29)17-19-6-8-22(24)9-7-19/h2-9,20H,10-17H2,1H3,(H,25,27)