2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methoxy-3-morpholinosulfonyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-methoxy-3-morpholinosulfonyl-phenyl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H27N5O5S/c1-30-18-4-3-17(15-19(18)32(28,29)26-11-13-31-14-12-26)16-20(27)24-7-9-25(10-8-24)21-22-5-2-6-23-21/h2-6,15H,7-14,16H2,1H3