(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-morpholinosulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N5O4S/c27-20(24-10-12-25(13-11-24)21-22-8-1-9-23-21)7-4-18-2-5-19(6-3-18)31(28,29)26-14-16-30-17-15-26/h1-9H,10-17H2/b7-4+