2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl methanesulfonate Openeye Name: 2-[4-[[1-(2-pyridylmethyl)benzimidazol-2-yl]amino]-1-piperidyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[[1-(2-pyridinylmethyl)-2-benzimidazolyl]amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[[1-(2-pyridylmethyl)benzimidazol-2-yl]amino]piperidino]ethyl ester Formula: C21H27N5O3S MolecularWeight: 429.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=CC=N4

Isomeric SMILES

CS(=O)(=O)OCCN1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=CC=N4

InChI

InChI=1S/C21H27N5O3S/c1-30(27,28)29-15-14-25-12-9-17(10-13-25)23-21-24-19-7-2-3-8-20(19)26(21)16-18-6-4-5-11-22-18/h2-8,11,17H,9-10,12-16H2,1H3,(H,23,24)