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

Systemtic Name: 2-[(3-methoxyphenyl)-methylsulfonyl-amino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(3-methoxy-N-methylsulfonyl-anilino)-N-[3-(m-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-3-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(=CC=C2)OC)S(=O)(=O)C

Isomeric SMILES

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

InChI

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