2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(1-pyrrolyl)benzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-pyrrol-1-ylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-pyrrol-1-yl-benzoic acid Formula: C13H13NO4S MolecularWeight: 279.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2C=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2C=CC=C2

InChI

InChI=1S/C13H13NO4S/c1-9-7-11(14-5-3-4-6-14)12(19(2,17)18)8-10(9)13(15)16/h3-8H,1-2H3,(H,15,16)