4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]sulfonyl]-2,1,3-benzothiadiazole CAS Name: 4-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]sulfonylpiazthiole Formula: C21H26N5O2S2+ MolecularWeight: 444.59344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C21H25N5O2S2/c27-30(28,20-10-4-9-19-21(20)23-29-22-19)26-11-5-8-18(16-26)25-14-12-24(13-15-25)17-6-2-1-3-7-17/h1-4,6-7,9-10,18H,5,8,11-16H2/p+1/t18-/m0/s1