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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(N-mesyl-3,4-dimethoxy-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]acetamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O5S2/c1-16-6-5-7-17(12-16)15-29-11-10-22-21(24)14-23(30(4,25)26)18-8-9-19(27-2)20(13-18)28-3/h5-9,12-13H,10-11,14-15H2,1-4H3,(H,22,24)