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

Systemtic Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 4-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-5-hydroxy-piperidine-2-carboxylic acid CAS Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-5-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-5-hydroxypiperidine-2-carboxylic acid Traditional Name: 4-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-5-hydroxy-pipecolinic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6S/c1-3-5-12(4-2)25-13-6-8-14(9-7-13)26(23,24)17-10-15(18(21)22)19-11-16(17)20/h6-9,12,15-17,19-20H,4,10-11H2,1-2H3,(H,21,22)