4,5-bis(chloranyl)-2-[4-(4-phenylmethoxypiperidin-1-yl)sulfonylphenyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[4-(4-phenylmethoxypiperidin-1-yl)sulfonylphenyl]pyridazin-3-one Openeye Name: 2-[4-[(4-benzyloxy-1-piperidyl)sulfonyl]phenyl]-4,5-dichloro-pyridazin-3-one CAS Name: 4,5-dichloro-2-[4-[(4-phenylmethoxy-1-piperidinyl)sulfonyl]phenyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[4-(4-phenylmethoxypiperidin-1-yl)sulfonylphenyl]pyridazin-3-one Traditional Name: 2-[4-(4-benzoxypiperidino)sulfonylphenyl]-4,5-dichloro-pyridazin-3-one Formula: C22H21Cl2N3O4S MolecularWeight: 494.39084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C(=C(C=N4)Cl)Cl

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C(=C(C=N4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O4S/c23-20-14-25-27(22(28)21(20)24)17-6-8-19(9-7-17)32(29,30)26-12-10-18(11-13-26)31-15-16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2