6-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: 6-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-(mesitylsulfonylamino)-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)C

InChI

InChI=1S/C18H19NO6S/c1-10-6-11(2)17(12(3)7-10)26(22,23)19-14-9-16-15(24-4-5-25-16)8-13(14)18(20)21/h6-9,19H,4-5H2,1-3H3,(H,20,21)