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

Systemtic Name: 3-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]butyric acid Formula: C12H16BrNO5S MolecularWeight: 366.22814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC(C)CC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC(C)CC(=O)O

InChI

InChI=1S/C12H16BrNO5S/c1-3-19-10-5-4-9(13)7-11(10)20(17,18)14-8(2)6-12(15)16/h4-5,7-8,14H,3,6H2,1-2H3,(H,15,16)