2-[5-(4-methylsulfonylphenyl)carbonyl-1H-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[5-(4-methylsulfonylphenyl)carbonyl-1H-pyrrol-2-yl]propanoic acid Openeye Name: 2-[5-(4-methylsulfonylbenzoyl)-1H-pyrrol-2-yl]propanoic acid CAS Name: 2-[5-[(4-methylsulfonylphenyl)-oxomethyl]-1H-pyrrol-2-yl]propanoic acid IUPAC Name: 2-[5-(4-methylsulfonylbenzoyl)-1H-pyrrol-2-yl]propanoic acid Traditional Name: 2-[5-(4-mesylbenzoyl)-1H-pyrrol-2-yl]propionic acid Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(N1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC=C(N1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C15H15NO5S/c1-9(15(18)19)12-7-8-13(16-12)14(17)10-3-5-11(6-4-10)22(2,20)21/h3-9,16H,1-2H3,(H,18,19)