2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(N-mesyl-3,4-dimethoxy-anilino)acetamide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C)OC

InChI

InChI=1S/C20H26N2O5S2/c1-26-18-10-9-17(13-19(18)27-2)22(29(3,24)25)14-20(23)21-11-12-28-15-16-7-5-4-6-8-16/h4-10,13H,11-12,14-15H2,1-3H3,(H,21,23)