2-[methylsulfonyl-(4-propoxyphenyl)amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(4-propoxyphenyl)amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(N-methylsulfonyl-4-propoxy-anilino)acetamide CAS Name: 2-(N-methylsulfonyl-4-propoxyanilino)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(N-mesyl-4-propoxy-anilino)acetamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S2/c1-3-14-27-20-11-9-19(10-12-20)23(29(2,25)26)16-21(24)22-13-15-28-17-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3,(H,22,24)