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

Systemtic Name: 5-oxidanyl-1-[4-(4-oxidanylpent-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 5-hydroxy-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-pipecolinic acid Formula: C17H21NO7S MolecularWeight: 383.41614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO7S/c1-12(19)3-2-10-25-14-5-7-15(8-6-14)26(23,24)18-11-13(20)4-9-16(18)17(21)22/h5-8,12-13,16,19-20H,4,9-11H2,1H3,(H,21,22)