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

Systemtic Name: 3-ethyl-5-[(1S)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-ethyl-5-[(1S)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-ethyl-5-[(1S)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-ethyl-5-[(1S)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-ethyl-5-[(1S)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Formula: C17H24N5O5S+ MolecularWeight: 410.46796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=NOC(=N1)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H23N5O5S/c1-4-16-18-17(27-19-16)13(3)20-7-9-21(10-8-20)28(25,26)15-11-14(22(23)24)6-5-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3/p+1/t13-/m0/s1