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

Systemtic Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-methoxybut-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#CCOC

Isomeric SMILES

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

InChI

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