3-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(5-bromo-2-methyl-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(5-bromo-2-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(5-bromo-2-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(5-bromo-2-methyl-phenyl)sulfonylamino]butyric acid Formula: C11H14BrNO4S MolecularWeight: 336.20216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC(C)CC(=O)O

InChI

InChI=1S/C11H14BrNO4S/c1-7-3-4-9(12)6-10(7)18(16,17)13-8(2)5-11(14)15/h3-4,6,8,13H,5H2,1-2H3,(H,14,15)