2-(4-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione hydrochloride

Systemtic Name: 2-(4-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione hydrochloride Openeye Name: 2-(4-piperazin-1-ylsulfonylphenyl)isoindoline-1,3-dione hydrochloride CAS Name: 2-[4-(1-piperazinylsulfonyl)phenyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-(4-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione hydrochloride Traditional Name: 2-(4-piperazinosulfonylphenyl)isoindoline-1,3-quinone hydrochloride Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O.Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O.Cl

InChI

InChI=1S/C18H17N3O4S.ClH/c22-17-15-3-1-2-4-16(15)18(23)21(17)13-5-7-14(8-6-13)26(24,25)20-11-9-19-10-12-20;/h1-8,19H,9-12H2;1H