N-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Openeye Name: N-[[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methyl]methanesulfonamide CAS Name: N-[[4-(phenylmethyl)-5-[1-(2-pyridinyl)-4-piperidinyl]-1,2,4-triazol-3-yl]methyl]methanesulfonamide IUPAC Name: N-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Traditional Name: N-[[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methyl]methanesulfonamide Formula: C21H26N6O2S MolecularWeight: 426.53514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CS(=O)(=O)NCC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H26N6O2S/c1-30(28,29)23-15-20-24-25-21(27(20)16-17-7-3-2-4-8-17)18-10-13-26(14-11-18)19-9-5-6-12-22-19/h2-9,12,18,23H,10-11,13-16H2,1H3