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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2C)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2C)S(=O)(=O)C

InChI

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