4-bromanyl-2-phenyl-5-[4-(phenylsulfonyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-bromanyl-2-phenyl-5-[4-(phenylsulfonyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-4-bromo-2-phenyl-pyridazin-3-one CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-4-bromo-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-4-bromo-2-phenylpyridazin-3-one Traditional Name: 5-(4-besylpiperazino)-4-bromo-2-phenyl-pyridazin-3-one Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19BrN4O3S/c21-19-18(15-22-25(20(19)26)16-7-3-1-4-8-16)23-11-13-24(14-12-23)29(27,28)17-9-5-2-6-10-17/h1-10,15H,11-14H2