N-(3-morpholin-4-ylpropyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(3-morpholinopropyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(4-morpholinyl)propyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(3-morpholinopropyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H23N3O7S MolecularWeight: 401.43472

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)[N+](=O)[O-])S(=O)(=O)NCCCN3CCOCC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)[N+](=O)[O-])S(=O)(=O)NCCCN3CCOCC3)OC1

InChI

InChI=1S/C16H23N3O7S/c20-19(21)13-11-14-15(26-8-2-7-25-14)12-16(13)27(22,23)17-3-1-4-18-5-9-24-10-6-18/h11-12,17H,1-10H2