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

Systemtic Name: 2-fluoranyl-5-(4-phenylmethoxypiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 5-[(4-benzyloxy-1-piperidyl)sulfonyl]-2-fluoro-benzoic acid CAS Name: 2-fluoro-5-[(4-phenylmethoxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-fluoro-5-(4-phenylmethoxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 5-(4-benzoxypiperidino)sulfonyl-2-fluoro-benzoic acid Formula: C19H20FNO5S MolecularWeight: 393.429203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H20FNO5S/c20-18-7-6-16(12-17(18)19(22)23)27(24,25)21-10-8-15(9-11-21)26-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,23)