N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-2-[(4-methoxyphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-2-[(4-methoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-2-(4-methoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-[(2-fluorophenyl)methylthio]propyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-[(2-fluorobenzyl)thio]propyl]-2-(N-mesyl-4-methoxy-anilino)acetamide Formula: C20H25FN2O4S2 MolecularWeight: 440.551903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2F)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2F)S(=O)(=O)C

InChI

InChI=1S/C20H25FN2O4S2/c1-27-18-10-8-17(9-11-18)23(29(2,25)26)14-20(24)22-12-5-13-28-15-16-6-3-4-7-19(16)21/h3-4,6-11H,5,12-15H2,1-2H3,(H,22,24)