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

Systemtic Name: 3-methyl-3-oxidanyl-1-[4-(4-oxidanylpent-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methylpiperidine-2-carboxylic acid Traditional Name: 3-hydroxy-1-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-3-methyl-pipecolinic acid Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)(C)O)O

Isomeric SMILES

CC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)(C)O)O

InChI

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