2-chloranyl-5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonyl-2-chloro-benzoic acid CAS Name: 5-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-2-chlorobenzoic acid IUPAC Name: 5-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonyl-2-chlorobenzoic acid Traditional Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonyl-2-chloro-benzoic acid Formula: C19H18ClFN2O5S MolecularWeight: 440.873023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O)F

InChI

InChI=1S/C19H18ClFN2O5S/c1-12(24)13-2-5-18(17(21)10-13)22-6-8-23(9-7-22)29(27,28)14-3-4-16(20)15(11-14)19(25)26/h2-5,10-11H,6-9H2,1H3,(H,25,26)