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

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[3-(o-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-[(2-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-[3-[(2-methylbenzyl)thio]propyl]acetamide Formula: C20H25BrN2O3S2 MolecularWeight: 485.4581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CSCCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C20H25BrN2O3S2/c1-16-7-3-4-8-17(16)15-27-12-6-11-22-20(24)14-23(28(2,25)26)19-10-5-9-18(21)13-19/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,22,24)