2,2-dimethyl-4-[4-(4-methyl-4-oxidanyl-pent-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[4-(4-methyl-4-oxidanyl-pent-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxy-4-methylpent-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxy-4-methyl-pent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H25NO6S2 MolecularWeight: 427.5349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)O)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)(C)O)C(=O)O)C

InChI

InChI=1S/C19H25NO6S2/c1-18(2,23)10-5-12-26-14-6-8-15(9-7-14)28(24,25)20-11-13-27-19(3,4)16(20)17(21)22/h6-9,16,23H,11-13H2,1-4H3,(H,21,22)