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

Systemtic Name: N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-2-[(3-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: 2-(3-methyl-N-methylsulfonyl-anilino)-N-[3-(m-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(3-methyl-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(3-methyl-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-3-methyl-anilino)-N-[3-[(3-methylbenzyl)thio]propyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-17-7-4-9-19(13-17)16-27-12-6-11-22-21(24)15-23(28(3,25)26)20-10-5-8-18(2)14-20/h4-5,7-10,13-14H,6,11-12,15-16H2,1-3H3,(H,22,24)