2-[2,5-bis(chloranyl)-4-piperazin-1-ylsulfonyl-phenyl]isoindole-1,3-dione

Systemtic Name: 2-[2,5-bis(chloranyl)-4-piperazin-1-ylsulfonyl-phenyl]isoindole-1,3-dione Openeye Name: 2-(2,5-dichloro-4-piperazin-1-ylsulfonyl-phenyl)isoindoline-1,3-dione CAS Name: 2-[2,5-dichloro-4-(1-piperazinylsulfonyl)phenyl]isoindole-1,3-dione IUPAC Name: 2-(2,5-dichloro-4-piperazin-1-ylsulfonylphenyl)isoindole-1,3-dione Traditional Name: 2-(2,5-dichloro-4-piperazinosulfonyl-phenyl)isoindoline-1,3-quinone Formula: C18H15Cl2N3O4S MolecularWeight: 440.3004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N3O4S/c19-13-10-16(28(26,27)22-7-5-21-6-8-22)14(20)9-15(13)23-17(24)11-3-1-2-4-12(11)18(23)25/h1-4,9-10,21H,5-8H2