2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-[(4-fluorophenyl)methylthio]propyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-[3-[(4-fluorobenzyl)thio]propyl]acetamide Formula: C19H22BrFN2O3S2 MolecularWeight: 489.421983

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=C(C=C1)F)C2=CC(=CC=C2)Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=C(C=C1)F)C2=CC(=CC=C2)Br

InChI

InChI=1S/C19H22BrFN2O3S2/c1-28(25,26)23(18-5-2-4-16(20)12-18)13-19(24)22-10-3-11-27-14-15-6-8-17(21)9-7-15/h2,4-9,12H,3,10-11,13-14H2,1H3,(H,22,24)