6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 2-phenyl-6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 2-phenyl-6-(4-tosyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c1-18-8-10-20(11-9-18)30(28,29)25-15-5-14-24(16-17-25)21-12-13-22(27)26(23-21)19-6-3-2-4-7-19/h2-4,6-13H,5,14-17H2,1H3