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

Systemtic Name: 5-oxidanyl-1-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 5-hydroxy-1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-pipecolinic acid Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC2C(=O)O)O)O

Isomeric SMILES

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC2C(=O)O)O)O

InChI

InChI=1S/C18H23NO7S/c1-2-13(20)4-3-11-26-15-6-8-16(9-7-15)27(24,25)19-12-14(21)5-10-17(19)18(22)23/h6-9,13-14,17,20-21H,2,5,10-12H2,1H3,(H,22,23)