3-[5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl]propanoic acid IUPAC Name: 3-[5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-mesylphenyl)-1H-pyrrol-2-yl]propionic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)O

InChI

InChI=1S/C14H15NO4S/c1-20(18,19)12-6-2-10(3-7-12)13-8-4-11(15-13)5-9-14(16)17/h2-4,6-8,15H,5,9H2,1H3,(H,16,17)