2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one

Systemtic Name: 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one Traditional Name: 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]ethyl]-6-phenyl-pyridazin-3-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c1-19-8-9-20(2)23(18-19)32(30,31)27-15-12-26(13-16-27)14-17-28-24(29)11-10-22(25-28)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3