1-[4-[(2-cyanophenyl)methoxy]phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-[(2-cyanophenyl)methoxy]phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(2-cyanophenyl)methoxy]phenyl]sulfonyl-5-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-[4-[(2-cyanophenyl)methoxy]phenyl]sulfonyl-5-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2-cyanophenyl)methoxy]phenyl]sulfonyl-5-hydroxypiperidine-2-carboxylic acid Traditional Name: 1-[4-(2-cyanobenzyl)oxyphenyl]sulfonyl-5-hydroxy-pipecolinic acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CC1O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

C1CC(N(CC1O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C20H20N2O6S/c21-11-14-3-1-2-4-15(14)13-28-17-6-8-18(9-7-17)29(26,27)22-12-16(23)5-10-19(22)20(24)25/h1-4,6-9,16,19,23H,5,10,12-13H2,(H,24,25)