(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-acetamidobenzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H15BrN2O5S MolecularWeight: 439.2804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H15BrN2O5S/c1-3-24-16-9-12(10-19)8-15(18)17(16)25-26(22,23)14-6-4-13(5-7-14)20-11(2)21/h4-9H,3H2,1-2H3,(H,20,21)