4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-(4-piperonylpiperazino)sulfonylpiazthiole Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C18H18N4O4S2/c23-28(24,17-3-1-2-14-18(17)20-27-19-14)22-8-6-21(7-9-22)11-13-4-5-15-16(10-13)26-12-25-15/h1-5,10H,6-9,11-12H2