N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-12-9-15(20(21)22)11-18(13(12)2)27(23,24)19-6-5-14-3-4-16-17(10-14)26-8-7-25-16/h3-4,9-11,19H,5-8H2,1-2H3