2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)C)Br

InChI

InChI=1S/C19H22BrFN2O3S2/c1-14-11-16(7-8-17(14)20)23(28(2,25)26)12-19(24)22-9-10-27-13-15-5-3-4-6-18(15)21/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)