5-oxidanyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 5-oxidanyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 5-hydroxy-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-pipecolinic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CC1O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(CC1O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21NO6S/c23-17-8-13-20(21(24)25)22(15-17)29(26,27)19-11-9-18(10-12-19)28-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,17,20,23H,8,13-15H2,(H,24,25)