3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

Systemtic Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole Openeye Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-(1-methylsulfonyl-4-piperidyl)-1,2,4-oxadiazole CAS Name: 3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-5-(1-methylsulfonyl-4-piperidinyl)-1,2,4-oxadiazole IUPAC Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole Traditional Name: 5-(1-mesyl-4-piperidyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-oxadiazole Formula: C19H28N5O5S2+ MolecularWeight: 470.58612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C19H27N5O5S2/c1-22-11-13-24(14-12-22)31(27,28)17-5-3-15(4-6-17)18-20-19(29-21-18)16-7-9-23(10-8-16)30(2,25)26/h3-6,16H,7-14H2,1-2H3/p+1