(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H22FNO6S MolecularWeight: 471.497983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C24H22FNO6S/c1-15-7-8-16(2)22(9-15)33(28,29)26-21-6-4-3-5-20(21)24(27)31-13-18-11-19(25)10-17-12-30-14-32-23(17)18/h3-11,26H,12-14H2,1-2H3