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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-nitro-benzenesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-nitro-benzenesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-nitrobenzenesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-nitrobenzenesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-nitro-benzenesulfonamide Formula: C17H18N2O6S MolecularWeight: 378.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-2-18(12-13-3-8-16-17(11-13)25-10-9-24-16)26(22,23)15-6-4-14(5-7-15)19(20)21/h3-8,11H,2,9-10,12H2,1H3