N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(4-tosylpiperazino)acetamide 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)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=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)13-19(25)22-18-7-4-15(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)