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

Systemtic Name: 2,6-dimethyl-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-2,6-dimethyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-2,6-dimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-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(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO7S/c1-13-12-20(17(18(21)22)14(2)27-13)28(24,25)16-8-6-15(7-9-16)26-11-5-10-19(3,4)23/h6-9,13-14,17,23H,11-12H2,1-4H3,(H,21,22)