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

Systemtic Name: N-[3-[(4-methylphenyl)methylsulfanyl]propyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[3-(p-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[3-[(4-methylbenzyl)thio]propyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-17-5-9-19(10-6-17)16-27-14-4-13-22-21(24)15-23(28(3,25)26)20-11-7-18(2)8-12-20/h5-12H,4,13-16H2,1-3H3,(H,22,24)