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

Systemtic Name: 2-(3,4-dimethylphenyl)-6-[4-(4-ethanoylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 6-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one CAS Name: 6-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)-3-pyridazinone IUPAC Name: 6-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one Traditional Name: 6-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4S/c1-18-5-8-22(17-19(18)2)29-25(31)12-11-24(26-29)27-13-4-14-28(16-15-27)34(32,33)23-9-6-21(7-10-23)20(3)30/h5-12,17H,4,13-16H2,1-3H3