N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-fluoranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-fluoranyl-3-nitro-benzenesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-fluoro-3-nitro-benzenesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-fluoro-3-nitro-benzenesulfonamide Formula: C17H17FN2O6S MolecularWeight: 396.390083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN2O6S/c1-2-19(11-12-3-6-16-17(9-12)26-8-7-25-16)27(23,24)13-4-5-14(18)15(10-13)20(21)22/h3-6,9-10H,2,7-8,11H2,1H3