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

Systemtic Name: 3-methyl-1-[4-(4-methyl-4-oxidanyl-pent-2-ynoxy)phenyl]sulfonyl-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-1-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-1-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-1-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-3-methylpiperidine-2-carboxylic acid Traditional Name: 3-hydroxy-1-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-3-methyl-pipecolinic acid Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO7S/c1-18(2,23)10-5-13-27-14-6-8-15(9-7-14)28(25,26)20-12-4-11-19(3,24)16(20)17(21)22/h6-9,16,23-24H,4,11-13H2,1-3H3,(H,21,22)