(2-bromanyl-4-cyano-6-ethoxy-phenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 5-carbamoyl-1-methyl-pyrrole-3-sulfonate CAS Name: 5-carbamoyl-1-methyl-3-pyrrolesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 5-carbamoyl-1-methylpyrrole-3-sulfonate Traditional Name: 5-carbamoyl-1-methyl-pyrrole-3-sulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C15H14BrN3O5S MolecularWeight: 428.25776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O5S/c1-3-23-13-5-9(7-17)4-11(16)14(13)24-25(21,22)10-6-12(15(18)20)19(2)8-10/h4-6,8H,3H2,1-2H3,(H2,18,20)