2-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-bis(chloranyl)pyridazin-3-one

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-bis(chloranyl)pyridazin-3-one Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-dichloro-pyridazin-3-one CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-4,5-dichloro-3-pyridazinone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-dichloropyridazin-3-one Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-dichloro-pyridazin-3-one Formula: C16H17Cl2N3O3S MolecularWeight: 402.29548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O3S/c17-14-11-19-21(16(22)15(14)18)12-5-7-13(8-6-12)25(23,24)20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10H2