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

Systemtic Name: 3-[3,4-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[3,4-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-1H-pyridazin-6-one CAS Name: 3-[3,4-dimethyl-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[3,4-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[3,4-dimethyl-5-(4-phenylpiperazino)sulfonyl-phenyl]-1H-pyridazin-6-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-16-14-18(20-8-9-22(27)24-23-20)15-21(17(16)2)30(28,29)26-12-10-25(11-13-26)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3,(H,24,27)