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

Systemtic Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,6-dimethylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4,4-dimethylpent-2-ynoxy)phenyl]sulfonyl-2,6-dimethyl-morpholine-3-carboxylic acid Formula: C20H27NO6S MolecularWeight: 409.49648

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6S/c1-14-13-21(18(19(22)23)15(2)27-14)28(24,25)17-9-7-16(8-10-17)26-12-6-11-20(3,4)5/h7-10,14-15,18H,12-13H2,1-5H3,(H,22,23)