N-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-benzenesulfonamide Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S/c1-18(2,3)19-28(23,24)13-5-7-15(14(11-13)20(21)22)27-12-4-6-16-17(10-12)26-9-8-25-16/h4-7,10-11,19H,8-9H2,1-3H3