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

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-chloro-4-fluoro-5-[4-[2-(2-thienyl)ethyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-chloro-4-fluoro-5-[[4-(2-thiophen-2-ylethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-chloro-4-fluoro-5-[4-[2-(2-thienyl)ethyl]piperazino]sulfonyl-benzoic acid Formula: C17H18ClFN2O4S2 MolecularWeight: 432.917223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CS2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

Isomeric SMILES

C1CN(CCN1CCC2=CC=CS2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

InChI

InChI=1S/C17H18ClFN2O4S2/c18-14-11-15(19)16(10-13(14)17(22)23)27(24,25)21-7-5-20(6-8-21)4-3-12-2-1-9-26-12/h1-2,9-11H,3-8H2,(H,22,23)