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

Systemtic Name: 3-methyl-3-oxidanyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-hydroxy-3-methyl-1-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-pipecolinic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)O

Isomeric SMILES

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)O

InChI

InChI=1S/C22H23NO6S/c1-22(26)14-6-15-23(20(22)21(24)25)30(27,28)19-12-10-18(11-13-19)29-16-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,20,26H,6,14-16H2,1H3,(H,24,25)