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

Systemtic Name: 6-[4-(4-ethanoylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4S/c1-18(28)19-8-10-21(11-9-19)32(30,31)26-15-5-14-25(16-17-26)22-12-13-23(29)27(24-22)20-6-3-2-4-7-20/h2-4,6-13H,5,14-17H2,1H3