1-[4-[2,4-bis(fluoranyl)phenyl]sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-[2,4-bis(fluoranyl)phenyl]sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(2,4-difluorophenyl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-[(2,4-difluorophenyl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(2,4-difluorophenyl)sulfanyl-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-[(2,4-difluorophenyl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C17H18F2N3O4S2+ MolecularWeight: 430.469326

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=C(C=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=C(C=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F2N3O4S2/c1-20-6-8-21(9-7-20)28(25,26)13-3-5-17(15(11-13)22(23)24)27-16-4-2-12(18)10-14(16)19/h2-5,10-11H,6-9H2,1H3/p+1