N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethyl-5-nitro-benzenesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethyl-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)N(C)CC2COC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC2COC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-12-8-14(20(21)22)9-18(13(12)2)27(23,24)19(3)10-15-11-25-16-6-4-5-7-17(16)26-15/h4-9,15H,10-11H2,1-3H3