4-[6-(4-fluoranyl-3,5-dimethyl-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide

Systemtic Name: 4-[6-(4-fluoranyl-3,5-dimethyl-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-(4-fluoro-3,5-dimethyl-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-(4-fluoro-3,5-dimethylphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-(4-fluoro-3,5-dimethylphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[6-(4-fluoro-3,5-dimethyl-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1F)C)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3

Isomeric SMILES

CC1=CC(=CC(=C1F)C)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3

InChI

InChI=1S/C21H18FNO4S/c1-12-7-15(8-13(2)21(12)22)18-10-20-19(26-11-27-20)9-17(18)14-3-5-16(6-4-14)28(23,24)25/h3-10H,11H2,1-2H3,(H2,23,24,25)