ethyl 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(6-morpholinopyrimidin-4-yl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

InChI

InChI=1S/C21H27N5O5S/c1-2-31-21(27)17-3-5-18(6-4-17)32(28,29)26-9-7-24(8-10-26)19-15-20(23-16-22-19)25-11-13-30-14-12-25/h3-6,15-16H,2,7-14H2,1H3