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

Systemtic Name: 2-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[2-[4-(3,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one Traditional Name: 2-[2-[4-(3,5-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(=CC(=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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