3-methyl-5-[[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-methyl-5-[[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridazin-6-one Openeye Name: 5-[[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-thienyl]methyl]-3-methyl-1H-pyridazin-6-one CAS Name: 3-methyl-5-[[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-thiophenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 5-[[5-(4-benzylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-3-methyl-1H-pyridazin-6-one Traditional Name: 5-[[5-(4-benzylpiperidino)sulfonyl-2-thienyl]methyl]-3-methyl-1H-pyridazin-6-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CC2=CC=C(S2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NNC(=O)C(=C1)CC2=CC=C(S2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c1-16-13-19(22(26)24-23-16)15-20-7-8-21(29-20)30(27,28)25-11-9-18(10-12-25)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,26)