2-(6-piperazin-1-ylsulfonyl-1,3-benzodioxol-5-yl)isoindole-1,3-dione

Systemtic Name: 2-(6-piperazin-1-ylsulfonyl-1,3-benzodioxol-5-yl)isoindole-1,3-dione Openeye Name: 2-(6-piperazin-1-ylsulfonyl-1,3-benzodioxol-5-yl)isoindoline-1,3-dione CAS Name: 2-[6-(1-piperazinylsulfonyl)-1,3-benzodioxol-5-yl]isoindole-1,3-dione IUPAC Name: 2-(6-piperazin-1-ylsulfonyl-1,3-benzodioxol-5-yl)isoindole-1,3-dione Traditional Name: 2-(6-piperazinosulfonyl-1,3-benzodioxol-5-yl)isoindoline-1,3-quinone Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC3=C(C=C2N4C(=O)C5=CC=CC=C5C4=O)OCO3

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC3=C(C=C2N4C(=O)C5=CC=CC=C5C4=O)OCO3

InChI

InChI=1S/C19H17N3O6S/c23-18-12-3-1-2-4-13(12)19(24)22(18)14-9-15-16(28-11-27-15)10-17(14)29(25,26)21-7-5-20-6-8-21/h1-4,9-10,20H,5-8,11H2