N-[2-(1,3-benzodioxol-5-yloxy)-4-nitro-phenyl]methanesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yloxy)-4-nitro-phenyl]methanesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yloxy)-4-nitro-phenyl]methanesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yloxy)-4-nitrophenyl]methanesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yloxy)-4-nitrophenyl]methanesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yloxy)-4-nitro-phenyl]methanesulfonamide Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H12N2O7S/c1-24(19,20)15-11-4-2-9(16(17)18)6-13(11)23-10-3-5-12-14(7-10)22-8-21-12/h2-7,15H,8H2,1H3