1-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-2-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-4-(4-methoxyphenyl)sulfonyl-pipecolinic acid Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2CCN(C(C2)C(=O)O)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2CCN(C(C2)C(=O)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO5S/c1-27-16-6-8-17(9-7-16)28(25,26)18-10-11-22(19(12-18)20(23)24)13-14-2-4-15(21)5-3-14/h2-9,18-19H,10-13H2,1H3,(H,23,24)