ethyl 1-[5-(6-morpholin-4-ylpyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(6-morpholin-4-ylpyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[[5-(6-morpholinopyridazin-3-yl)-2-thienyl]sulfonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[6-(4-morpholinyl)-3-pyridazinyl]-2-thiophenyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(6-morpholin-4-ylpyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[[5-(6-morpholinopyridazin-3-yl)-2-thienyl]sulfonyl]nipecotic acid ethyl ester Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)C3=NN=C(C=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)C3=NN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H26N4O5S2/c1-2-29-20(25)15-4-3-9-24(14-15)31(26,27)19-8-6-17(30-19)16-5-7-18(22-21-16)23-10-12-28-13-11-23/h5-8,15H,2-4,9-14H2,1H3