N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C19H22BrFN2O3S2 MolecularWeight: 489.421983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=C(C=CC(=C2)Br)F

InChI

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