2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]butanoic acid CAS Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]butyric acid Formula: C11H14BrNO4S MolecularWeight: 336.20216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)Br)C

Isomeric SMILES

CCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)Br)C

InChI

InChI=1S/C11H14BrNO4S/c1-3-9(11(14)15)13-18(16,17)10-6-8(12)5-4-7(10)2/h4-6,9,13H,3H2,1-2H3,(H,14,15)