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

Systemtic Name: 3-tert-butyl-5-[(1S)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[(1S)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[(1S)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[(1S)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[(1S)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Formula: C19H28N5O5S+ MolecularWeight: 438.52112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C(C)C3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C19H27N5O5S/c1-13-6-7-15(24(25)26)12-16(13)30(27,28)23-10-8-22(9-11-23)14(2)17-20-18(21-29-17)19(3,4)5/h6-7,12,14H,8-11H2,1-5H3/p+1/t14-/m0/s1