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

Systemtic Name: 4-cyano-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]benzamide Openeye Name: 4-cyano-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]benzamide CAS Name: 4-cyano-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]benzamide IUPAC Name: 4-cyano-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]benzamide Traditional Name: 4-cyano-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]benzamide Formula: C23H19N3O5S MolecularWeight: 449.47906

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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)C#N)OC1

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O5S/c24-15-16-2-4-17(5-3-16)23(27)25-18-6-8-19(9-7-18)26-32(28,29)20-10-11-21-22(14-20)31-13-1-12-30-21/h2-11,14,26H,1,12-13H2,(H,25,27)