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

Systemtic Name: 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(4-bromo-N-methylsulfonyl-anilino)-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]acetamide CAS Name: 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[(2-fluorophenyl)methylthio]propyl]acetamide IUPAC Name: 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(4-bromo-N-mesyl-anilino)-N-[3-[(2-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=CC=C1F)C2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1F)C2=CC=C(C=C2)Br

InChI

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