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

Systemtic Name: 5-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)isoxazole CAS Name: 5-[[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(2-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)isoxazole Formula: C21H23ClN3O4S+ MolecularWeight: 448.94302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-28-21-8-3-2-7-19(21)20-14-17(29-23-20)15-24-9-11-25(12-10-24)30(26,27)18-6-4-5-16(22)13-18/h2-8,13-14H,9-12,15H2,1H3/p+1