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

Systemtic Name: 2,2,6-trimethyl-4-[4-(4-oxidanylpent-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid Formula: C19H25NO7S MolecularWeight: 411.4693

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO7S/c1-13(21)6-5-11-26-15-7-9-16(10-8-15)28(24,25)20-12-14(2)27-19(3,4)17(20)18(22)23/h7-10,13-14,17,21H,11-12H2,1-4H3,(H,22,23)