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

Systemtic Name: 5-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(2-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole Formula: C24H30N5O3S+ MolecularWeight: 468.5917

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NC(=NO4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NC(=NO4)C5=CC=CC=N5

InChI

InChI=1S/C24H29N5O3S/c30-33(31,21-11-9-20(10-12-21)19-6-2-1-3-7-19)29-16-14-28(15-17-29)18-23-26-24(27-32-23)22-8-4-5-13-25-22/h4-5,8-13,19H,1-3,6-7,14-18H2/p+1