2,2,6-trimethyl-4-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 2,2,6-trimethyl-4-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid Formula: C20H27NO7S MolecularWeight: 425.49588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2C(=O)O)(C)C)C)O

Isomeric SMILES

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2C(=O)O)(C)C)C)O

InChI

InChI=1S/C20H27NO7S/c1-5-15(22)7-6-12-27-16-8-10-17(11-9-16)29(25,26)21-13-14(2)28-20(3,4)18(21)19(23)24/h8-11,14-15,18,22H,5,12-13H2,1-4H3,(H,23,24)