(5-ethanoyl-2-methoxy-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C25H23NO8S MolecularWeight: 497.51702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H23NO8S/c1-16(27)18-5-9-22(31-2)19(13-18)15-34-25(28)17-3-6-20(7-4-17)26-35(29,30)21-8-10-23-24(14-21)33-12-11-32-23/h3-10,13-14,26H,11-12,15H2,1-2H3