2-fluoranyl-5-(3-phenylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-fluoranyl-5-(3-phenylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-fluoro-5-[(3-phenyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-fluoro-5-[(3-phenyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-fluoro-5-(3-phenylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-fluoro-5-(3-phenylpiperidino)sulfonyl-benzoic acid Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H18FNO4S/c19-17-9-8-15(11-16(17)18(21)22)25(23,24)20-10-4-7-14(12-20)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12H2,(H,21,22)