N-[3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]phenyl]-2-furamide Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4)OC1

InChI

InChI=1S/C23H23N3O7S/c27-22(25-16-4-1-5-17(14-16)26-23(28)20-6-2-11-32-20)9-10-24-34(29,30)18-7-8-19-21(15-18)33-13-3-12-31-19/h1-2,4-8,11,14-15,24H,3,9-10,12-13H2,(H,25,27)(H,26,28)