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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[4-(6-morpholinopyridazin-3-yl)piperazin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(6-morpholinopyridazin-3-yl)piperazino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H30N6O5S MolecularWeight: 478.5651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O5S/c1-4-32-21(28)19-15(2)22-16(3)20(19)33(29,30)27-9-7-25(8-10-27)17-5-6-18(24-23-17)26-11-13-31-14-12-26/h5-6,22H,4,7-14H2,1-3H3