2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]ethanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[3-(p-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[3-[(4-methylbenzyl)thio]propyl]acetamide Formula: C20H25ClN2O3S2 MolecularWeight: 441.0071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3S2/c1-16-7-9-17(10-8-16)15-27-12-4-11-22-20(24)14-23(28(2,25)26)19-6-3-5-18(21)13-19/h3,5-10,13H,4,11-12,14-15H2,1-2H3,(H,22,24)