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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO7S/c1-3-14(21)6-4-13-27-15-7-9-16(10-8-15)28(25,26)20-12-5-11-19(2,24)17(20)18(22)23/h7-10,14,17,21,24H,3,5,11-13H2,1-2H3,(H,22,23)