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

Systemtic Name: 4-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C21H16F3NO4S MolecularWeight: 435.41625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3)C(F)(F)F

Isomeric SMILES

CC1=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/C21H16F3NO4S/c1-12-8-14(4-7-18(12)21(22,23)24)17-10-20-19(28-11-29-20)9-16(17)13-2-5-15(6-3-13)30(25,26)27/h2-10H,11H2,1H3,(H2,25,26,27)