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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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