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

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]acetamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC(=C2)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC(=C2)C)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O3S2/c1-16-7-9-19(10-8-16)22(27(3,24)25)14-20(23)21-11-12-26-15-18-6-4-5-17(2)13-18/h4-10,13H,11-12,14-15H2,1-3H3,(H,21,23)