(E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5S/c1-31-19-5-3-18(17-20(19)33(29,30)27-13-15-32-16-14-27)4-6-21(28)25-9-11-26(12-10-25)22-23-7-2-8-24-22/h2-8,17H,9-16H2,1H3/b6-4+