2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[3-(p-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-2,5-dimethyl-anilino)-N-[3-[(4-methylbenzyl)thio]propyl]acetamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S2/c1-17-7-10-20(11-8-17)16-28-13-5-12-23-22(25)15-24(29(4,26)27)21-14-18(2)6-9-19(21)3/h6-11,14H,5,12-13,15-16H2,1-4H3,(H,23,25)