2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-fluoro-anilino)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-2-fluoroanilino)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-fluoroanilino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-2-fluoro-anilino)-1-(4-tosylpiperazino)ethanone Formula: C19H21BrFN3O3S MolecularWeight: 470.355743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H21BrFN3O3S/c1-14-2-5-16(6-3-14)28(26,27)24-10-8-23(9-11-24)19(25)13-22-18-7-4-15(20)12-17(18)21/h2-7,12,22H,8-11,13H2,1H3