[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C25H23NO7S MolecularWeight: 481.51762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C25H23NO7S/c1-16-7-8-18(13-17(16)2)22(27)15-33-25(28)20-5-3-4-6-21(20)26-34(29,30)19-9-10-23-24(14-19)32-12-11-31-23/h3-10,13-14,26H,11-12,15H2,1-2H3