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

Systemtic Name: 2,6-dimethyl-4-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,6-dimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxyhex-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:

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

Isomeric SMILES

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

InChI

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