1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-(5-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-(5-methyl-2-nitro-phenoxy)ethanone Formula: C19H19ClFN3O6S MolecularWeight: 471.887063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H19ClFN3O6S/c1-13-2-5-17(24(26)27)18(10-13)30-12-19(25)22-6-8-23(9-7-22)31(28,29)14-3-4-16(21)15(20)11-14/h2-5,10-11H,6-9,12H2,1H3