2-[5-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]sulfonylthiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]sulfonylthiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]sulfonyl-2-thienyl]acetic acid CAS Name: 2-[5-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]sulfonyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]sulfonylthiophen-2-yl]acetic acid Traditional Name: 2-[5-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]sulfonyl-2-thienyl]acetic acid Formula: C16H16ClFN2O6S3 MolecularWeight: 482.954443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=C(S3)CC(=O)O

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=C(S3)CC(=O)O

InChI

InChI=1S/C16H16ClFN2O6S3/c17-13-10-12(2-3-14(13)18)28(23,24)19-5-7-20(8-6-19)29(25,26)16-4-1-11(27-16)9-15(21)22/h1-4,10H,5-9H2,(H,21,22)