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

Systemtic Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-[(3S)-1-methylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-[(3S)-1-methylsulfonyl-3-piperidyl]-1,2,4-oxadiazole CAS Name: 3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-5-[(3S)-1-methylsulfonyl-3-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-[(3S)-1-methylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole Traditional Name: 5-[(3S)-1-mesyl-3-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)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)[C@H]4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C19H27N5O5S2/c1-22-10-12-23(13-11-22)31(27,28)17-7-5-15(6-8-17)18-20-19(29-21-18)16-4-3-9-24(14-16)30(2,25)26/h5-8,16H,3-4,9-14H2,1-2H3/p+1/t16-/m0/s1