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

Systemtic Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,2,6-trimethyl-morpholine-3-carboxylic acid Formula: C21H29NO6S MolecularWeight: 423.52306

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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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6S/c1-15-14-22(18(19(23)24)21(5,6)28-15)29(25,26)17-10-8-16(9-11-17)27-13-7-12-20(2,3)4/h8-11,15,18H,13-14H2,1-6H3,(H,23,24)