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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC(=C(C=C2N3C(=O)C4=CC=CC=C4C3=O)Cl)Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC(=C(C=C2N3C(=O)C4=CC=CC=C4C3=O)Cl)Cl

InChI

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