5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole

Systemtic Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 5-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C21H23FN3O4S+ MolecularWeight: 432.488423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O4S/c1-28-18-6-2-16(3-7-18)21-14-19(29-23-21)15-24-10-12-25(13-11-24)30(26,27)20-8-4-17(22)5-9-20/h2-9,14H,10-13,15H2,1H3/p+1