4-fluoranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 4-fluoranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]-4-fluoro-benzoate CAS Name: 4-fluoro-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonyl-4-fluorobenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonyl-4-fluoro-benzoate Formula: C19H19FNO4S- MolecularWeight: 376.421863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO4S/c20-17-7-6-16(19(22)23)13-18(17)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)/p-1