5-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]sulfonyl-3-thenoic acid Formula: C15H14ClFN2O6S3 MolecularWeight: 468.927863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C15H14ClFN2O6S3/c16-12-8-11(1-2-13(12)17)27(22,23)18-3-5-19(6-4-18)28(24,25)14-7-10(9-26-14)15(20)21/h1-2,7-9H,3-6H2,(H,20,21)