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

Systemtic Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzamide Openeye Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzamide CAS Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzamide Traditional Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)N)OC1

InChI

InChI=1S/C19H21N3O6S/c20-19(24)13-2-4-14(5-3-13)22-18(23)8-9-21-29(25,26)15-6-7-16-17(12-15)28-11-1-10-27-16/h2-7,12,21H,1,8-11H2,(H2,20,24)(H,22,23)