2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-(o-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(N-mesyl-3,5-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=CC=CC=C1CSCCNC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C

InChI

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