4-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 4-[(5-bromo-2-methyl-phenyl)sulfonylamino]butanoic acid CAS Name: 4-[(5-bromo-2-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[(5-bromo-2-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(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)NCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)NCCCC(=O)O

InChI

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