(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methylquinoline-8-sulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methylquinoline-8-sulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C19H15BrN2O4S MolecularWeight: 447.3024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

InChI

InChI=1S/C19H15BrN2O4S/c1-3-25-16-9-13(10-21)8-15(20)19(16)26-27(23,24)17-6-4-5-14-7-12(2)11-22-18(14)17/h4-9,11H,3H2,1-2H3