N-[6-[4-methoxy-3-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide

Systemtic Name: N-[6-[4-methoxy-3-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: N-[6-[4-methoxy-3-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: N-[6-[4-methoxy-3-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: N-[6-[4-methoxy-3-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: N-[6-[4-methoxy-3-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C21H16F3NO5S MolecularWeight: 451.41565

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H16F3NO5S/c1-28-18-8-7-13(9-16(18)21(22,23)24)15-10-19-20(30-12-29-19)11-17(15)25-31(26,27)14-5-3-2-4-6-14/h2-11,25H,12H2,1H3