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

Systemtic Name: 6-[(2-bromanyl-4-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(2-bromo-4-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[(2-bromo-4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[(2-bromo-4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[(2-bromo-4-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C16H14BrNO6S MolecularWeight: 428.25446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO6S/c1-9-2-3-15(11(17)6-9)25(21,22)18-12-8-14-13(23-4-5-24-14)7-10(12)16(19)20/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)