N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: 2-(3-acetyl-N-methylsulfonyl-anilino)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide CAS Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-[2-[(3-chlorophenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(3-acetyl-N-mesyl-anilino)-N-[2-[(3-chlorobenzyl)thio]ethyl]acetamide Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O4S2/c1-15(24)17-6-4-8-19(12-17)23(29(2,26)27)13-20(25)22-9-10-28-14-16-5-3-7-18(21)11-16/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,25)