4-chloranyl-2-phenyl-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazin-3-one Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-pyridazinone IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-(4-benzylsulfonylpiperazino)-4-chloro-2-phenyl-pyridazin-3-one Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O3S/c22-20-19(15-23-26(21(20)27)18-9-5-2-6-10-18)24-11-13-25(14-12-24)30(28,29)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2