4-[2-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)propan-2-yl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[2-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)propan-2-yl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[1,1-dimethyl-2-oxo-2-(2-pyridylmethylamino)ethyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[2-methyl-1-oxo-1-(2-pyridinylmethylamino)propan-2-yl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[2-methyl-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[2-keto-1,1-dimethyl-2-(2-pyridylmethylamino)ethyl]sulfonyl-3-phenyl-butyric acid Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCC1=CC=CC=N1)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)NCC1=CC=CC=N1)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H24N2O5S/c1-20(2,19(25)22-13-17-10-6-7-11-21-17)28(26,27)14-16(12-18(23)24)15-8-4-3-5-9-15/h3-11,16H,12-14H2,1-2H3,(H,22,25)(H,23,24)