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

Systemtic Name: 2-[3-[3-(butylsulfamoyl)-5-chloranyl-phenyl]-4-cyano-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-[3-(butylsulfamoyl)-5-chloro-phenyl]-4-cyano-pyrrol-1-yl]acetic acid CAS Name: 2-[3-[3-(butylsulfamoyl)-5-chlorophenyl]-4-cyano-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-[3-(butylsulfamoyl)-5-chlorophenyl]-4-cyanopyrrol-1-yl]acetic acid Traditional Name: 2-[3-[3-(butylsulfamoyl)-5-chloro-phenyl]-4-cyano-pyrrol-1-yl]acetic acid Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O4S/c1-2-3-4-20-26(24,25)15-6-12(5-14(18)7-15)16-10-21(11-17(22)23)9-13(16)8-19/h5-7,9-10,20H,2-4,11H2,1H3,(H,22,23)