1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC2C(=O)O)O

Isomeric SMILES

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CC(CCC2C(=O)O)O

InChI

InChI=1S/C18H23NO6S/c1-3-5-14(4-2)25-15-7-9-16(10-8-15)26(23,24)19-12-13(20)6-11-17(19)18(21)22/h7-10,13-14,17,20H,4,6,11-12H2,1-2H3,(H,21,22)