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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(C(CC1O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

InChI

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