1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(3-chloro-4-fluoro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(3-chloro-4-fluoro-phenyl)sulfonyl-piperazin-1-ium Formula: C23H23ClFN2O2S+ MolecularWeight: 445.957323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H22ClFN2O2S/c24-21-17-20(11-12-22(21)25)30(28,29)27-15-13-26(14-16-27)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2/p+1