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

Systemtic Name: 5-[4-(3-fluoranylpropyl)piperazin-1-yl]sulfonyl-2-propoxy-benzoic acid Openeye Name: 5-[4-(3-fluoropropyl)piperazin-1-yl]sulfonyl-2-propoxy-benzoic acid CAS Name: 5-[[4-(3-fluoropropyl)-1-piperazinyl]sulfonyl]-2-propoxybenzoic acid IUPAC Name: 5-[4-(3-fluoropropyl)piperazin-1-yl]sulfonyl-2-propoxybenzoic acid Traditional Name: 5-[4-(3-fluoropropyl)piperazino]sulfonyl-2-propoxy-benzoic acid Formula: C17H25FN2O5S MolecularWeight: 388.454203

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCF)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCF)C(=O)O

InChI

InChI=1S/C17H25FN2O5S/c1-2-12-25-16-5-4-14(13-15(16)17(21)22)26(23,24)20-10-8-19(9-11-20)7-3-6-18/h4-5,13H,2-3,6-12H2,1H3,(H,21,22)