4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-4-(piperonylamino)benzenesulfonamide Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c15-24(20,21)10-2-3-11(12(6-10)17(18)19)16-7-9-1-4-13-14(5-9)23-8-22-13/h1-6,16H,7-8H2,(H2,15,20,21)