[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone

Systemtic Name: [4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone CAS Name: [4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: [4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone Traditional Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-(4-methoxy-3-nitro-phenyl)methanone Formula: C18H17ClFN3O6S MolecularWeight: 457.860483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClFN3O6S/c1-29-17-5-2-12(10-16(17)23(25)26)18(24)21-6-8-22(9-7-21)30(27,28)13-3-4-15(20)14(19)11-13/h2-5,10-11H,6-9H2,1H3