2-[2-(1,3-benzodioxol-5-yl)-5-cyano-6-methoxy-pyridin-3-yl]benzenesulfonamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-5-cyano-6-methoxy-pyridin-3-yl]benzenesulfonamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-5-cyano-6-methoxy-3-pyridyl]benzenesulfonamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-5-cyano-6-methoxy-3-pyridinyl]benzenesulfonamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-5-cyano-6-methoxypyridin-3-yl]benzenesulfonamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-5-cyano-6-methoxy-3-pyridyl]benzenesulfonamide Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1C#N)C2=CC=CC=C2S(=O)(=O)N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=NC(=C(C=C1C#N)C2=CC=CC=C2S(=O)(=O)N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H15N3O5S/c1-26-20-13(10-21)8-15(14-4-2-3-5-18(14)29(22,24)25)19(23-20)12-6-7-16-17(9-12)28-11-27-16/h2-9H,11H2,1H3,(H2,22,24,25)