5-[[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one

Systemtic Name: 5-[[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one Openeye Name: 5-[[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one CAS Name: 5-[[4-[[4-(2-chlorophenyl)-1-piperazinyl]sulfonyl]phenyl]methyl]-3-methyl-1H-pyridazin-6-one IUPAC Name: 5-[[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one Traditional Name: 5-[4-[4-(2-chlorophenyl)piperazino]sulfonylbenzyl]-3-methyl-1H-pyridazin-6-one Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-16-14-18(22(28)25-24-16)15-17-6-8-19(9-7-17)31(29,30)27-12-10-26(11-13-27)21-5-3-2-4-20(21)23/h2-9,14H,10-13,15H2,1H3,(H,25,28)