2-(4-chlorophenyl)-6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(4-chlorophenyl)pyridazin-3-one CAS Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(4-chlorophenyl)-3-pyridazinone IUPAC Name: 6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(4-chlorophenyl)pyridazin-3-one Traditional Name: 6-(4-besyl-1,4-diazepan-1-yl)-2-(4-chlorophenyl)pyridazin-3-one Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O3S/c22-17-7-9-18(10-8-17)26-21(27)12-11-20(23-26)24-13-4-14-25(16-15-24)30(28,29)19-5-2-1-3-6-19/h1-3,5-12H,4,13-16H2