3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-phenyl]-1H-pyridazin-6-one CAS Name: 3-[3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4,5-dimethylphenyl]-1H-pyridazin-6-one IUPAC Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazino]sulfonyl-4,5-dimethyl-phenyl]-1H-pyridazin-6-one Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C22H23ClN4O3S/c1-15-12-17(20-6-7-22(28)25-24-20)13-21(16(15)2)31(29,30)27-10-8-26(9-11-27)19-5-3-4-18(23)14-19/h3-7,12-14H,8-11H2,1-2H3,(H,25,28)