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

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[3-(m-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-[3-[(3-methylbenzyl)thio]propyl]acetamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S2/c1-17-7-5-8-20(12-17)16-28-10-6-9-23-22(25)15-24(29(4,26)27)21-13-18(2)11-19(3)14-21/h5,7-8,11-14H,6,9-10,15-16H2,1-4H3,(H,23,25)