4-methylsulfonyloxy-3-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-methylsulfonyloxy-3-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-benzyloxycarbonyl-4-methylsulfonyloxy-1H-pyrrole-2-carboxylic acid CAS Name: 4-methylsulfonyloxy-3-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-methylsulfonyloxy-3-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-carbobenzoxy-4-methylsulfonyloxy-1H-pyrrole-2-carboxylic acid Formula: C14H13NO7S MolecularWeight: 339.32052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CNC(=C1C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CNC(=C1C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H13NO7S/c1-23(19,20)22-10-7-15-12(13(16)17)11(10)14(18)21-8-9-5-3-2-4-6-9/h2-7,15H,8H2,1H3,(H,16,17)