1-[4-[3,4-bis(fluoranyl)phenoxy]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-[3,4-bis(fluoranyl)phenoxy]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(3,4-difluorophenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(3,4-difluorophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(3,4-difluorophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(3,4-difluorophenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C17H18F2N3O5S+ MolecularWeight: 414.403726

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F2N3O5S/c1-20-6-8-21(9-7-20)28(25,26)13-3-5-17(16(11-13)22(23)24)27-12-2-4-14(18)15(19)10-12/h2-5,10-11H,6-9H2,1H3/p+1