N-[3-[(2-methylphenyl)methylsulfanyl]propyl]-2-[(3-methylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-[(2-methylphenyl)methylsulfanyl]propyl]-2-[(3-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: 2-(3-methyl-N-methylsulfonyl-anilino)-N-[3-(o-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(3-methyl-N-methylsulfonylanilino)-N-[3-[(2-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(3-methyl-N-methylsulfonylanilino)-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-3-methyl-anilino)-N-[3-[(2-methylbenzyl)thio]propyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)NCCCSCC2=CC=CC=C2C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)NCCCSCC2=CC=CC=C2C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-17-8-6-11-20(14-17)23(28(3,25)26)15-21(24)22-12-7-13-27-16-19-10-5-4-9-18(19)2/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,22,24)