N-(1,3-benzodioxol-5-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-nitro-benzenesulfonamide Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O6S/c16-15(17)10-2-4-11(5-3-10)22(18,19)14-9-1-6-12-13(7-9)21-8-20-12/h1-7,14H,8H2