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

Systemtic Name: 2,6-dimethyl-4-[4-(4-oxidanylpent-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-2,6-dimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxypent-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-morpholine-3-carboxylic acid Formula: C18H23NO7S MolecularWeight: 397.44272

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO7S/c1-12(20)5-4-10-25-15-6-8-16(9-7-15)27(23,24)19-11-13(2)26-14(3)17(19)18(21)22/h6-9,12-14,17,20H,10-11H2,1-3H3,(H,21,22)