2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]ethanamide

Systemtic Name: 2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(4-methoxy-N-methylsulfonyl-anilino)-N-[3-(m-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-4-methoxy-anilino)-N-[3-[(3-methylbenzyl)thio]propyl]acetamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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