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

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[2-(cyclohexylthio)ethyl]-1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-1-(2-fluorobenzyl)sulfonyl-isonipecotamide Formula: C21H31FN2O3S2 MolecularWeight: 442.610843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

Isomeric SMILES

C1CCC(CC1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C21H31FN2O3S2/c22-20-9-5-4-6-18(20)16-29(26,27)24-13-10-17(11-14-24)21(25)23-12-15-28-19-7-2-1-3-8-19/h4-6,9,17,19H,1-3,7-8,10-16H2,(H,23,25)