2-fluoranyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-fluoranyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-[(4-benzyl-1-piperidyl)sulfonyl]-2-fluoro-benzoic acid CAS Name: 2-fluoro-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 5-(4-benzylpiperidin-1-yl)sulfonyl-2-fluorobenzoic acid Traditional Name: 5-(4-benzylpiperidino)sulfonyl-2-fluoro-benzoic acid Formula: C19H20FNO4S MolecularWeight: 377.429803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H20FNO4S/c20-18-7-6-16(13-17(18)19(22)23)26(24,25)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,23)