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2-ethoxy-5-[4-(3-fluoranylpropyl)piperazin-1-yl]sulfonyl-benzoic acid

2-ethoxy-5-[4-(3-fluoranylpropyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name:2-ethoxy-5-[4-(3-fluoranylpropyl)piperazin-1-yl]sulfonyl-benzoic acid
Openeye Name:2-ethoxy-5-[4-(3-fluoropropyl)piperazin-1-yl]sulfonyl-benzoic acid
CAS Name:2-ethoxy-5-[[4-(3-fluoropropyl)-1-piperazinyl]sulfonyl]benzoic acid
IUPAC Name:2-ethoxy-5-[4-(3-fluoropropyl)piperazin-1-yl]sulfonylbenzoic acid
Traditional Name:2-ethoxy-5-[4-(3-fluoropropyl)piperazino]sulfonyl-benzoic acid
Formula: C16H23FN2O5S
MolecularWeight: 374.427623
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCF)C(=O)O


Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCF)C(=O)O


InChI

InChI=1S/C16H23FN2O5S/c1-2-24-15-5-4-13(12-14(15)16(20)21)25(22,23)19-10-8-18(9-11-19)7-3-6-17/h4-5,12H,2-3,6-11H2,1H3,(H,20,21)


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