N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C22H27FN2O4S2 MolecularWeight: 466.589183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C22H27FN2O4S2/c1-29-19-8-10-20(11-9-19)31(27,28)25-13-4-6-17(15-25)22(26)24-12-14-30-16-18-5-2-3-7-21(18)23/h2-3,5,7-11,17H,4,6,12-16H2,1H3,(H,24,26)