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

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-(p-phenetylsulfonylamino)benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H22FNO7S MolecularWeight: 487.497383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C24H22FNO7S/c1-2-31-19-7-9-20(10-8-19)34(28,29)26-22-6-4-3-5-21(22)24(27)32-14-17-12-18(25)11-16-13-30-15-33-23(16)17/h3-12,26H,2,13-15H2,1H3