N-(2-methoxy-5-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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