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

Systemtic Name: 6-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one Openeye Name: 6-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-2-(p-tolyl)pyridazin-3-one CAS Name: 6-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)-3-pyridazinone IUPAC Name: 6-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one Traditional Name: 6-(4-piazthiol-4-ylsulfonyl-1,4-diazepan-1-yl)-2-(p-tolyl)pyridazin-3-one Formula: C22H22N6O3S2 MolecularWeight: 482.57848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H22N6O3S2/c1-16-6-8-17(9-7-16)28-21(29)11-10-20(23-28)26-12-3-13-27(15-14-26)33(30,31)19-5-2-4-18-22(19)25-32-24-18/h2,4-11H,3,12-15H2,1H3