3-tert-butyl-5-[(1S)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[(1S)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[(1S)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[(1S)-1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[(1S)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[(1S)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Formula: C17H27N4O3S2+ MolecularWeight: 399.55128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)C(C)C3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C17H26N4O3S2/c1-12-6-7-14(25-12)26(22,23)21-10-8-20(9-11-21)13(2)15-18-16(19-24-15)17(3,4)5/h6-7,13H,8-11H2,1-5H3/p+1/t13-/m0/s1