5-(3-acetamidophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-(3-acetamidophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(3-acetamidophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(3-acetamidophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(3-acetamidophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-(3-acetamidophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)C3=CC=CC(=C3)NC(=O)C)OC(O2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)C3=CC=CC(=C3)NC(=O)C)OC(O2)C(=O)O

InChI

InChI=1S/C17H15NO7S/c1-9-6-13-14(25-17(24-13)16(20)21)8-15(9)26(22,23)12-5-3-4-11(7-12)18-10(2)19/h3-8,17H,1-2H3,(H,18,19)(H,20,21)