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

Systemtic Name: 1-[[2,3-bis(fluoranyl)phenyl]methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,3-difluorophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,3-difluorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2,3-difluorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,3-difluorobenzyl)-4-nosyl-piperazin-1-ium Formula: C17H18F2N3O4S+ MolecularWeight: 398.404326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=CC=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=CC=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17F2N3O4S/c18-16-3-1-2-13(17(16)19)12-20-8-10-21(11-9-20)27(25,26)15-6-4-14(5-7-15)22(23)24/h1-7H,8-12H2/p+1