4-fluoranyl-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-fluoro-3-[4-(3-thienylmethyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-fluoro-3-[[4-(3-thiophenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-fluoro-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-fluoro-3-[4-(3-thenyl)piperazino]sulfonyl-benzoic acid Formula: C16H17FN2O4S2 MolecularWeight: 384.445583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C16H17FN2O4S2/c17-14-2-1-13(16(20)21)9-15(14)25(22,23)19-6-4-18(5-7-19)10-12-3-8-24-11-12/h1-3,8-9,11H,4-7,10H2,(H,20,21)