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

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-chloro-4-fluoro-phenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-chloro-4-fluorophenyl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-chloro-4-fluorophenyl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-chloro-4-fluoro-phenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C18H17ClFN3O6S MolecularWeight: 457.860483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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