3-methyl-5-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyridazin-6-one

Systemtic Name: 3-methyl-5-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyridazin-6-one Openeye Name: 3-methyl-5-[[4-(1-piperidylsulfonyl)phenyl]methyl]-1H-pyridazin-6-one CAS Name: 3-methyl-5-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-methyl-5-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyridazin-6-one Traditional Name: 3-methyl-5-(4-piperidinosulfonylbenzyl)-1H-pyridazin-6-one Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H21N3O3S/c1-13-11-15(17(21)19-18-13)12-14-5-7-16(8-6-14)24(22,23)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,21)