2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]methyl]phthalazin-1-one Formula: C19H18BrClN4O3S MolecularWeight: 497.79322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C19H18BrClN4O3S/c20-15-5-6-18(17(21)11-15)29(27,28)24-9-7-23(8-10-24)13-25-19(26)16-4-2-1-3-14(16)12-22-25/h1-6,11-12H,7-10,13H2