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

Systemtic Name: 5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(4-ethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N4O4S/c1-3-17-4-10-20(11-5-17)31(27,28)26-14-12-25(13-15-26)16-21-23-22(24-30-21)18-6-8-19(29-2)9-7-18/h4-11H,3,12-16H2,1-2H3/p+1