3-[(4-bromanyl-2,6-dimethyl-phenyl)sulfamoyl]propanoate

Systemtic Name: 3-[(4-bromanyl-2,6-dimethyl-phenyl)sulfamoyl]propanoate Openeye Name: 3-[(4-bromo-2,6-dimethyl-phenyl)sulfamoyl]propanoate CAS Name: 3-[(4-bromo-2,6-dimethylphenyl)sulfamoyl]propanoate IUPAC Name: 3-[(4-bromo-2,6-dimethylphenyl)sulfamoyl]propanoate Traditional Name: 3-[(4-bromo-2,6-dimethyl-phenyl)sulfamoyl]propionate Formula: C11H13BrNO4S- MolecularWeight: 335.19422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)CCC(=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)CCC(=O)[O-])C)Br

InChI

InChI=1S/C11H14BrNO4S/c1-7-5-9(12)6-8(2)11(7)13-18(16,17)4-3-10(14)15/h5-6,13H,3-4H2,1-2H3,(H,14,15)/p-1