N-[6-(3,4-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide

Systemtic Name: N-[6-(3,4-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: N-[6-(3,4-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: N-[6-(3,4-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: N-[6-(3,4-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: N-[6-(3,4-dimethoxyphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C2NS(=O)(=O)C4=CC=CC=C4)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2NS(=O)(=O)C4=CC=CC=C4)OCO3)OC

InChI

InChI=1S/C21H19NO6S/c1-25-18-9-8-14(10-19(18)26-2)16-11-20-21(28-13-27-20)12-17(16)22-29(23,24)15-6-4-3-5-7-15/h3-12,22H,13H2,1-2H3