3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C25H26FN4O4S2+ MolecularWeight: 529.626743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H25FN4O4S2/c1-33-23-5-3-2-4-21(23)27-36(31,32)20-10-11-24-22(16-20)30(25(35)34-24)17-28-12-14-29(15-13-28)19-8-6-18(26)7-9-19/h2-11,16,27H,12-15,17H2,1H3/p+1