4-chloranyl-5-piperidin-1-yl-2-(2,4,6-trimethylphenyl)sulfonyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-piperidin-1-yl-2-(2,4,6-trimethylphenyl)sulfonyl-pyridazin-3-one Openeye Name: 4-chloro-5-(1-piperidyl)-2-(2,4,6-trimethylphenyl)sulfonyl-pyridazin-3-one CAS Name: 4-chloro-5-(1-piperidinyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3-pyridazinone IUPAC Name: 4-chloro-5-piperidin-1-yl-2-(2,4,6-trimethylphenyl)sulfonylpyridazin-3-one Traditional Name: 4-chloro-2-mesitylsulfonyl-5-piperidino-pyridazin-3-one Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=O)C(=C(C=N2)N3CCCCC3)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=O)C(=C(C=N2)N3CCCCC3)Cl)C

InChI

InChI=1S/C18H22ClN3O3S/c1-12-9-13(2)17(14(3)10-12)26(24,25)22-18(23)16(19)15(11-20-22)21-7-5-4-6-8-21/h9-11H,4-8H2,1-3H3