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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(2-fluorobenzyl)piperazin-4-ium Formula: C17H18ClF2N2O2S+ MolecularWeight: 387.851826

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClF2N2O2S/c18-15-11-14(5-6-17(15)20)25(23,24)22-9-7-21(8-10-22)12-13-3-1-2-4-16(13)19/h1-6,11H,7-10,12H2/p+1