N-[[1-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperidin-4-yl]-(4-chlorophenyl)methyl]-1,1,1-tris(fluoranyl)methanesulfonamide

Systemtic Name: N-[[1-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperidin-4-yl]-(4-chlorophenyl)methyl]-1,1,1-tris(fluoranyl)methanesulfonamide Openeye Name: N-[[1-[1-[(2-amino-4-pyridyl)methyl]piperidine-4-carbonyl]-4-piperidyl]-(4-chlorophenyl)methyl]-1,1,1-trifluoro-methanesulfonamide CAS Name: N-[[1-[[1-[(2-amino-4-pyridinyl)methyl]-4-piperidinyl]-oxomethyl]-4-piperidinyl]-(4-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide IUPAC Name: N-[[1-[1-[(2-aminopyridin-4-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(4-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide Traditional Name: N-[[1-[1-[(2-amino-4-pyridyl)methyl]isonipecotoyl]-4-piperidyl]-(4-chlorophenyl)methyl]-1,1,1-trifluoro-methanesulfonamide Formula: C25H31ClF3N5O3S MolecularWeight: 574.05855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=C(C=C2)Cl)NS(=O)(=O)C(F)(F)F)C(=O)C3CCN(CC3)CC4=CC(=NC=C4)N

Isomeric SMILES

C1CN(CCC1C(C2=CC=C(C=C2)Cl)NS(=O)(=O)C(F)(F)F)C(=O)C3CCN(CC3)CC4=CC(=NC=C4)N

InChI

InChI=1S/C25H31ClF3N5O3S/c26-21-3-1-18(2-4-21)23(32-38(36,37)25(27,28)29)19-8-13-34(14-9-19)24(35)20-6-11-33(12-7-20)16-17-5-10-31-22(30)15-17/h1-5,10,15,19-20,23,32H,6-9,11-14,16H2,(H2,30,31)