N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-fluoro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(4-fluoro-N-mesyl-anilino)butyramide Formula: C19H22ClFN2O3S2 MolecularWeight: 444.970983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC1=CC=C(C=C1)Cl)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSC1=CC=C(C=C1)Cl)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C19H22ClFN2O3S2/c1-3-18(23(28(2,25)26)16-8-6-15(21)7-9-16)19(24)22-12-13-27-17-10-4-14(20)5-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)