5-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole Formula: C21H21N4O3S2+ MolecularWeight: 441.54644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H20N4O3S2/c26-30(27,19-6-5-16-3-1-2-4-17(16)13-19)25-10-8-24(9-11-25)14-20-22-21(23-28-20)18-7-12-29-15-18/h1-7,12-13,15H,8-11,14H2/p+1