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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methoxy-5-nitro-benzenesulfonamide Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H16N2O7S/c1-23-14-6-4-12(18(19)20)10-16(14)26(21,22)17-11-3-5-13-15(9-11)25-8-2-7-24-13/h3-6,9-10,17H,2,7-8H2,1H3