2-[3-cyano-4-(3-methylsulfonylphenyl)pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-4-(3-methylsulfonylphenyl)pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-(3-methylsulfonylphenyl)pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-(3-methylsulfonylphenyl)-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-(3-methylsulfonylphenyl)pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-(3-mesylphenyl)pyrrol-1-yl]acetic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=CN(C=C2C#N)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=CN(C=C2C#N)CC(=O)O

InChI

InChI=1S/C14H12N2O4S/c1-21(19,20)12-4-2-3-10(5-12)13-8-16(9-14(17)18)7-11(13)6-15/h2-5,7-8H,9H2,1H3,(H,17,18)