4-(4-fluorophenyl)sulfonyl-2-phenyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-2-phenyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-oxazole CAS Name: 4-(4-fluorophenyl)sulfonyl-2-phenyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]oxazole IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-oxazole Formula: C26H25FN3O3S+ MolecularWeight: 478.558403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN3O3S/c27-22-11-13-23(14-12-22)34(31,32)25-26(33-24(28-25)21-9-5-2-6-10-21)30-17-15-29(16-18-30)19-20-7-3-1-4-8-20/h1-14H,15-19H2/p+1