N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxy-3-nitro-benzenesulfonamide Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-])OC1

InChI

InChI=1S/C15H14N2O7S/c18-13-4-3-11(9-12(13)17(19)20)25(21,22)16-10-2-5-14-15(8-10)24-7-1-6-23-14/h2-5,8-9,16,18H,1,6-7H2