3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C18H19FN3O3S2+ MolecularWeight: 408.490163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C18H18FN3O3S2/c19-14-5-1-4-8-17(14)27(23,24)21-11-9-20(10-12-21)13-22-15-6-2-3-7-16(15)25-18(22)26/h1-8H,9-13H2/p+1