ethyl 1,2,5-trimethyl-4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2,5-trimethyl-4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[4-(6-morpholinopyridazin-3-yl)piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[4-(6-morpholinopyridazin-3-yl)piperazino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H32N6O5S MolecularWeight: 492.59168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)C)C)C

InChI

InChI=1S/C22H32N6O5S/c1-5-33-22(29)20-16(2)25(4)17(3)21(20)34(30,31)28-10-8-26(9-11-28)18-6-7-19(24-23-18)27-12-14-32-15-13-27/h6-7H,5,8-15H2,1-4H3