2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]methyl]isoindoline-1,3-quinone Formula: C19H17BrClN3O4S MolecularWeight: 498.77798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C19H17BrClN3O4S/c20-13-5-6-17(16(21)11-13)29(27,28)23-9-7-22(8-10-23)12-24-18(25)14-3-1-2-4-15(14)19(24)26/h1-6,11H,7-10,12H2