6-[4-(5-chloranylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one

Systemtic Name: 6-[4-(5-chloranylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one Openeye Name: 6-[4-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one CAS Name: 6-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)-3-pyridazinone IUPAC Name: 6-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one Traditional Name: 6-[4-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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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(S4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl)C

InChI

InChI=1S/C21H23ClN4O3S2/c1-15-4-5-17(14-16(15)2)26-20(27)8-7-19(23-26)24-10-3-11-25(13-12-24)31(28,29)21-9-6-18(22)30-21/h4-9,14H,3,10-13H2,1-2H3