2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(2,6-dimethyl-N-methylsulfonyl-anilino)-N-[2-(o-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(N-mesyl-2,6-dimethyl-anilino)-N-[2-[(2-methylbenzyl)thio]ethyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CC(=O)NCCSCC2=CC=CC=C2C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CC(=O)NCCSCC2=CC=CC=C2C)S(=O)(=O)C

InChI

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