N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-piperidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-piperidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-methoxy-3-[oxo(1-piperidinyl)methyl]benzenesulfonamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide Formula: C22H27FN2O4S2 MolecularWeight: 466.589183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2F)C(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2F)C(=O)N3CCCCC3

InChI

InChI=1S/C22H27FN2O4S2/c1-29-21-10-9-18(15-19(21)22(26)25-12-5-2-6-13-25)31(27,28)24-11-14-30-16-17-7-3-4-8-20(17)23/h3-4,7-10,15,24H,2,5-6,11-14,16H2,1H3