1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-4-(2-nitrobenzyl)piperazin-4-ium Formula: C17H18F2N3O4S+ MolecularWeight: 398.404326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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