5-oxidanyl-4-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 5-oxidanyl-4-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-4-[4-(1-methylbut-2-ynoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 5-hydroxy-4-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-4-(4-pent-3-yn-2-yloxyphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 5-hydroxy-4-[4-(1-methylbut-2-ynoxy)phenyl]sulfonyl-pipecolinic acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)OC1=CC=C(C=C1)S(=O)(=O)C2CC(NCC2O)C(=O)O

Isomeric SMILES

CC#CC(C)OC1=CC=C(C=C1)S(=O)(=O)C2CC(NCC2O)C(=O)O

InChI

InChI=1S/C17H21NO6S/c1-3-4-11(2)24-12-5-7-13(8-6-12)25(22,23)16-9-14(17(20)21)18-10-15(16)19/h5-8,11,14-16,18-19H,9-10H2,1-2H3,(H,20,21)