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

Systemtic Name: N-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)methyl]phenyl]-2-furamide Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4)OC1

InChI

InChI=1S/C21H20N2O6S/c24-21(19-6-2-9-28-19)23-16-5-1-4-15(12-16)14-22-30(25,26)17-7-8-18-20(13-17)29-11-3-10-27-18/h1-2,4-9,12-13,22H,3,10-11,14H2,(H,23,24)