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

Systemtic Name: N-(3-morpholin-4-ylpropyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride Openeye Name: N-(3-morpholinopropyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride CAS Name: N-[3-(4-morpholinyl)propyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide hydrochloride IUPAC Name: N-(3-morpholin-4-ylpropyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride Traditional Name: N-(3-morpholinopropyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide hydrochloride Formula: C16H24ClN3O7S MolecularWeight: 437.89566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O7S.ClH/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;1H