(E)-3-(3-nitro-4-oxidanyl-phenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitro-4-oxidanyl-phenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-1-[4-(1-piperidylsulfonyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(4-hydroxy-3-nitrophenyl)-1-[4-(1-piperidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxy-3-nitrophenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-1-(4-piperidinosulfonylphenyl)prop-2-en-1-one Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c23-19(10-4-15-5-11-20(24)18(14-15)22(25)26)16-6-8-17(9-7-16)29(27,28)21-12-2-1-3-13-21/h4-11,14,24H,1-3,12-13H2/b10-4+