N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C23H29FN2O3S2 MolecularWeight: 464.616363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CC=C3F

InChI

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