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

Systemtic Name: 4-[6-[3-methoxy-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-[3-methoxy-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-[3-methoxy-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-[3-methoxy-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[6-[3-methoxy-4-(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=CC(=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3)C(F)(F)F

InChI

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