2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoic acid

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoic acid Openeye Name: 2-[1-(p-tolylsulfonyl)pyrrol-2-yl]propanoic acid CAS Name: 2-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]propanoic acid IUPAC Name: 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoic acid Traditional Name: 2-(1-tosylpyrrol-2-yl)propionic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(C)C(=O)O

InChI

InChI=1S/C14H15NO4S/c1-10-5-7-12(8-6-10)20(18,19)15-9-3-4-13(15)11(2)14(16)17/h3-9,11H,1-2H3,(H,16,17)