2-fluoranyl-5-(4-propoxypiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-fluoranyl-5-(4-propoxypiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-fluoro-5-[(4-propoxy-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-fluoro-5-[(4-propoxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-fluoro-5-(4-propoxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-fluoro-5-(4-propoxypiperidino)sulfonyl-benzoic acid Formula: C15H20FNO5S MolecularWeight: 345.386403

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

CCCOC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C15H20FNO5S/c1-2-9-22-11-5-7-17(8-6-11)23(20,21)12-3-4-14(16)13(10-12)15(18)19/h3-4,10-11H,2,5-9H2,1H3,(H,18,19)