3-methyl-2-(sulfonylamino)butanoic acid; 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine

Systemtic Name: 3-methyl-2-(sulfonylamino)butanoic acid; 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine Openeye Name: 3-methyl-2-(sulfonylamino)butanoic acid; 1-[2-(4-pyridylmethoxy)phenyl]piperazine CAS Name: 3-methyl-2-(sulfonylamino)butanoic acid; 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine IUPAC Name: 3-methyl-2-(sulfonylamino)butanoic acid; 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine Traditional Name: 3-methyl-2-(sulfonylamino)butyric acid; 1-[2-(4-pyridylmethoxy)phenyl]piperazine Formula: C21H28N4O5S MolecularWeight: 448.53582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N=S(=O)=O.C1CN(CCN1)C2=CC=CC=C2OCC3=CC=NC=C3

Isomeric SMILES

CC(C)C(C(=O)O)N=S(=O)=O.C1CN(CCN1)C2=CC=CC=C2OCC3=CC=NC=C3

InChI

InChI=1S/C16H19N3O.C5H9NO4S/c1-2-4-16(20-13-14-5-7-17-8-6-14)15(3-1)19-11-9-18-10-12-19;1-3(2)4(5(7)8)6-11(9)10/h1-8,18H,9-13H2;3-4H,1-2H3,(H,7,8)