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

Systemtic Name: 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)isoxazole CAS Name: 5-[[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(2-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[4-(2-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=C4Cl

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Cl

InChI

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