ethyl 1-[6-[(4-chlorophenyl)methylsulfonyl]pyridazin-3-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(4-chlorophenyl)methylsulfonyl]pyridazin-3-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(4-chlorophenyl)methylsulfonyl]pyridazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-chlorophenyl)methylsulfonyl]-3-pyridazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(4-chlorophenyl)methylsulfonyl]pyridazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-chlorobenzyl)sulfonylpyridazin-3-yl]isonipecotic acid ethyl ester Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NN=C(C=C2)S(=O)(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NN=C(C=C2)S(=O)(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O4S/c1-2-27-19(24)15-9-11-23(12-10-15)17-7-8-18(22-21-17)28(25,26)13-14-3-5-16(20)6-4-14/h3-8,15H,2,9-13H2,1H3