(E)-1-(4-morpholin-4-ylsulfonylphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-morpholin-4-ylsulfonylphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-morpholinosulfonylphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-morpholinylsulfonyl)phenyl]-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-morpholin-4-ylsulfonylphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-morpholinosulfonylphenyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]prop-2-en-1-one Formula: C23H20N4O6S2 MolecularWeight: 512.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O6S2/c28-21(18-4-6-19(7-5-18)35(31,32)26-12-14-33-15-13-26)8-2-17-3-9-22(20(16-17)27(29)30)34-23-24-10-1-11-25-23/h1-11,16H,12-15H2/b8-2+