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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1COC2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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