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

Systemtic Name: 3-methyl-5-[[4-(4-methyl-2-phenyl-piperazin-1-yl)sulfonylphenyl]methyl]-1H-pyridazin-6-one Openeye Name: 3-methyl-5-[[4-(4-methyl-2-phenyl-piperazin-1-yl)sulfonylphenyl]methyl]-1H-pyridazin-6-one CAS Name: 3-methyl-5-[[4-[(4-methyl-2-phenyl-1-piperazinyl)sulfonyl]phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-methyl-5-[[4-(4-methyl-2-phenylpiperazin-1-yl)sulfonylphenyl]methyl]-1H-pyridazin-6-one Traditional Name: 3-methyl-5-[4-(4-methyl-2-phenyl-piperazino)sulfonylbenzyl]-1H-pyridazin-6-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C4=CC=CC=C4)C

Isomeric SMILES

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O3S/c1-17-14-20(23(28)25-24-17)15-18-8-10-21(11-9-18)31(29,30)27-13-12-26(2)16-22(27)19-6-4-3-5-7-19/h3-11,14,22H,12-13,15-16H2,1-2H3,(H,25,28)