1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(2-fluorobenzyl)piperazin-4-ium Formula: C17H18ClFN3O4S+ MolecularWeight: 414.858923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClFN3O4S/c18-15-6-5-14(11-17(15)22(23)24)27(25,26)21-9-7-20(8-10-21)12-13-3-1-2-4-16(13)19/h1-6,11H,7-10,12H2/p+1