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

Systemtic Name: 2,2,6-trimethyl-4-[4-(4-methyl-4-oxidanyl-pent-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxy-4-methyl-pent-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:

CC1CN(C(C(O1)(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)O

Isomeric SMILES

CC1CN(C(C(O1)(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)O

InChI

InChI=1S/C20H27NO7S/c1-14-13-21(17(18(22)23)20(4,5)28-14)29(25,26)16-9-7-15(8-10-16)27-12-6-11-19(2,3)24/h7-10,14,17,24H,12-13H2,1-5H3,(H,22,23)