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

Systemtic Name: 2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-3-methyl-butyric acid Formula: C13H18BrNO5S MolecularWeight: 380.25472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO5S/c1-4-20-10-6-5-9(14)7-11(10)21(18,19)15-12(8(2)3)13(16)17/h5-8,12,15H,4H2,1-3H3,(H,16,17)