4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid

Systemtic Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid CAS Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2,2,6-trimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2,2,6-trimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid Formula: C20H27NO6S MolecularWeight: 409.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2C(=O)O)(C)C)C

Isomeric SMILES

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2C(=O)O)(C)C)C

InChI

InChI=1S/C20H27NO6S/c1-6-8-15(7-2)26-16-9-11-17(12-10-16)28(24,25)21-13-14(3)27-20(4,5)18(21)19(22)23/h9-12,14-15,18H,7,13H2,1-5H3,(H,22,23)