2-[(3-methylphenyl)methyl]-6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)pyridazin-3-one

Systemtic Name: 2-[(3-methylphenyl)methyl]-6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)pyridazin-3-one Openeye Name: 6-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(m-tolylmethyl)pyridazin-3-one CAS Name: 2-[(3-methylphenyl)methyl]-6-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-pyridazinone IUPAC Name: 2-[(3-methylphenyl)methyl]-6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-methylbenzyl)-6-(4-methyl-3-piperidinosulfonyl-phenyl)pyridazin-3-one Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H27N3O3S/c1-18-7-6-8-20(15-18)17-27-24(28)12-11-22(25-27)21-10-9-19(2)23(16-21)31(29,30)26-13-4-3-5-14-26/h6-12,15-16H,3-5,13-14,17H2,1-2H3