N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C23H29FN2O3S2 MolecularWeight: 464.616363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C23H29FN2O3S2/c24-22-7-3-2-6-20(22)18-30-17-14-25-23(27)13-10-19-8-11-21(12-9-19)31(28,29)26-15-4-1-5-16-26/h2-3,6-9,11-12H,1,4-5,10,13-18H2,(H,25,27)