ethyl 1-[4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(4,5-dichloro-6-oxo-pyridazin-1-yl)phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-(4,5-dichloro-6-oxo-1-pyridazinyl)phenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-(4,5-dichloro-6-keto-pyridazin-1-yl)phenyl]sulfonylnipecotic acid ethyl ester Formula: C18H19Cl2N3O5S MolecularWeight: 460.33156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O5S/c1-2-28-18(25)12-4-3-9-22(11-12)29(26,27)14-7-5-13(6-8-14)23-17(24)16(20)15(19)10-21-23/h5-8,10,12H,2-4,9,11H2,1H3