2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-(p-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(N-mesyl-2,5-dimethyl-anilino)-N-[2-[(4-methylbenzyl)thio]ethyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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