4-[[3-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[3-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Openeye Name: 4-[[3-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Traditional Name: 4-[[3-[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]-2-keto-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Formula: C21H20FN3O7S MolecularWeight: 477.462803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)OC2=O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)OC2=O

InChI

InChI=1S/C21H20FN3O7S/c1-31-19-5-2-14(22)10-16(19)18(27)12-25-17-4-3-15(11-20(17)32-21(25)28)33(29,30)24-8-6-23(13-26)7-9-24/h2-5,10-11,13H,6-9,12H2,1H3