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

Systemtic Name: 3-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(5-bromo-2-methyl-phenyl)sulfonylamino]propanoic acid CAS Name: 3-[(5-bromo-2-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(5-bromo-2-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(5-bromo-2-methyl-phenyl)sulfonylamino]propionic acid Formula: C10H12BrNO4S MolecularWeight: 322.17558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrNO4S/c1-7-2-3-8(11)6-9(7)17(15,16)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)