N-[4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: N-[4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[4-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C24H24ClFN3O3S+ MolecularWeight: 488.982063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23ClFN3O3S/c25-22-7-4-8-23(26)21(22)17-28-13-15-29(16-14-28)24(30)18-9-11-19(12-10-18)27-33(31,32)20-5-2-1-3-6-20/h1-12,27H,13-17H2/p+1