2-(6-piperazin-1-ylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)isoindole-1,3-dione

Systemtic Name: 2-(6-piperazin-1-ylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)isoindole-1,3-dione Openeye Name: 2-(6-piperazin-1-ylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)isoindoline-1,3-dione CAS Name: 2-[6-(1-piperazinylsulfonyl)-2,3-dihydro-1,4-benzodioxin-7-yl]isoindole-1,3-dione IUPAC Name: 2-(6-piperazin-1-ylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)isoindole-1,3-dione Traditional Name: 2-(6-piperazinosulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)isoindoline-1,3-quinone Formula: C20H19N3O6S MolecularWeight: 429.44636

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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)OCCO3

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC3=C(C=C2N4C(=O)C5=CC=CC=C5C4=O)OCCO3

InChI

InChI=1S/C20H19N3O6S/c24-19-13-3-1-2-4-14(13)20(25)23(19)15-11-16-17(29-10-9-28-16)12-18(15)30(26,27)22-7-5-21-6-8-22/h1-4,11-12,21H,5-10H2