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

Systemtic Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(3-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(=C4)F

Isomeric SMILES

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

InChI

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