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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6S/c1-3-4-12(2)24-14-6-8-15(9-7-14)25(22,23)18-11-13(19)5-10-16(18)17(20)21/h6-9,12-13,16,19H,5,10-11H2,1-2H3,(H,20,21)