(3-ethanoylphenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate

Systemtic Name: (3-ethanoylphenyl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate Openeye Name: (3-acetylphenyl) 5-carbamoyl-1-methyl-pyrrole-3-sulfonate CAS Name: 5-carbamoyl-1-methyl-3-pyrrolesulfonic acid (3-acetylphenyl) ester IUPAC Name: (3-acetylphenyl) 5-carbamoyl-1-methylpyrrole-3-sulfonate Traditional Name: 5-carbamoyl-1-methyl-pyrrole-3-sulfonic acid (3-acetylphenyl) ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=CN(C(=C2)C(=O)N)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=CN(C(=C2)C(=O)N)C

InChI

InChI=1S/C14H14N2O5S/c1-9(17)10-4-3-5-11(6-10)21-22(19,20)12-7-13(14(15)18)16(2)8-12/h3-8H,1-2H3,(H2,15,18)