3-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[3-[(4-benzyl-1-piperidyl)sulfonyl]-4-methyl-phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-methyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[3-(4-benzylpiperidino)sulfonyl-4-methyl-phenyl]-1H-pyridazin-6-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-17-7-8-20(21-9-10-23(27)25-24-21)16-22(17)30(28,29)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H,25,27)