N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCSCC1=CC=CC=C1F)N(C2=CC=C(C=C2)OC)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCSCC1=CC=CC=C1F)N(C2=CC=C(C=C2)OC)S(=O)(=O)C

InChI

InChI=1S/C20H25FN2O4S2/c1-15(23(29(3,25)26)17-8-10-18(27-2)11-9-17)20(24)22-12-13-28-14-16-6-4-5-7-19(16)21/h4-11,15H,12-14H2,1-3H3,(H,22,24)