2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C21H25FN2O4S2 MolecularWeight: 452.562603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25FN2O4S2/c1-28-19-10-9-18(13-20(19)30(26,27)24-11-3-2-4-12-24)23-21(25)15-29-14-16-5-7-17(22)8-6-16/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,25)