N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-(phenoxymethyl)furan-2-carbohydrazide

Systemtic Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-(phenoxymethyl)furan-2-carbohydrazide Openeye Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-(phenoxymethyl)furan-2-carbohydrazide CAS Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-(phenoxymethyl)-2-furancarbohydrazide IUPAC Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-(phenoxymethyl)furan-2-carbohydrazide Traditional Name: N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-5-(phenoxymethyl)-2-furohydrazide Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NNC(=O)C3=CC=C(O3)COC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NNC(=O)C3=CC=C(O3)COC4=CC=CC=C4)OC1

InChI

InChI=1S/C21H20N2O7S/c24-21(19-9-7-16(30-19)14-29-15-5-2-1-3-6-15)22-23-31(25,26)17-8-10-18-20(13-17)28-12-4-11-27-18/h1-3,5-10,13,23H,4,11-12,14H2,(H,22,24)