(5-bromanyl-2-fluoranyl-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-2-fluoro-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-2-fluorophenyl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-fluorophenyl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-2-fluoro-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C18H17BrFN3O5S MolecularWeight: 486.312083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrFN3O5S/c1-12-2-4-14(23(25)26)11-17(12)29(27,28)22-8-6-21(7-9-22)18(24)15-10-13(19)3-5-16(15)20/h2-5,10-11H,6-9H2,1H3