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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)Cl

InChI

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