N-(1,3-benzodioxol-5-ylmethyl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-nitrobenzenesulfonamide Traditional Name: 2-nitro-N-piperonyl-benzenesulfonamide Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S/c17-16(18)11-3-1-2-4-14(11)23(19,20)15-8-10-5-6-12-13(7-10)22-9-21-12/h1-7,15H,8-9H2