3-[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]-2-(methylsulfonylamino)propanoic acid

Systemtic Name: 3-[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]-2-(methylsulfonylamino)propanoic acid Openeye Name: 2-(methanesulfonamido)-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propanoic acid CAS Name: 2-(methanesulfonamido)-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidinyl)ethyl]-1,2,4-triazolidin-1-yl]propanoic acid IUPAC Name: 2-(methanesulfonamido)-3-[5-methyl-3-oxo-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoic acid Traditional Name: 3-[3-keto-5-methyl-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]-2-(methanesulfonamido)propionic acid Formula: C20H31N5O5S MolecularWeight: 453.55564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCNCC3)CC(C(=O)O)NS(=O)(=O)C

Isomeric SMILES

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCNCC3)CC(C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C20H31N5O5S/c1-15-24(14-18(19(26)27)22-31(2,29)30)23(13-10-16-8-11-21-12-9-16)20(28)25(15)17-6-4-3-5-7-17/h3-7,15-16,18,21-22H,8-14H2,1-2H3,(H,26,27)