N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-fluoro-benzamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-fluorobenzamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-fluorobenzamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-fluoro-benzamide Formula: C22H19FN2O5S MolecularWeight: 442.460063

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F)OC1

InChI

InChI=1S/C22H19FN2O5S/c23-16-4-2-15(3-5-16)22(26)24-17-6-8-18(9-7-17)25-31(27,28)19-10-11-20-21(14-19)30-13-1-12-29-20/h2-11,14,25H,1,12-13H2,(H,24,26)