2-[3-[3-chloranyl-5-(dimethylsulfamoyl)phenyl]-4-cyano-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[3-chloranyl-5-(dimethylsulfamoyl)phenyl]-4-cyano-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-[3-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyano-pyrrol-1-yl]acetic acid CAS Name: 2-[3-[3-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyano-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-[3-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanopyrrol-1-yl]acetic acid Traditional Name: 2-[3-[3-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyano-pyrrol-1-yl]acetic acid Formula: C15H14ClN3O4S MolecularWeight: 367.80736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN3O4S/c1-18(2)24(22,23)13-4-10(3-12(16)5-13)14-8-19(9-15(20)21)7-11(14)6-17/h3-5,7-8H,9H2,1-2H3,(H,20,21)