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

Systemtic Name: 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H19ClN4O3S/c20-16-8-4-5-9-17(16)28(25,26)24-12-10-23(11-13-24)14-18-21-19(22-27-18)15-6-2-1-3-7-15/h1-9H,10-14H2/p+1