2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-pyridin-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-pyridin-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl methanesulfonate Openeye Name: 2-[4-[[1-[(3-benzyloxy-6-methyl-2-pyridyl)methyl]-4-methyl-benzimidazol-2-yl]amino]-1-piperidyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-2-benzimidazolyl]amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxypyridin-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[[1-[(3-benzoxy-6-methyl-2-pyridyl)methyl]-4-methyl-benzimidazol-2-yl]amino]piperidino]ethyl ester Formula: C30H37N5O4S MolecularWeight: 563.71088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCOS(=O)(=O)C)CC4=C(C=CC(=N4)C)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCOS(=O)(=O)C)CC4=C(C=CC(=N4)C)OCC5=CC=CC=C5

InChI

InChI=1S/C30H37N5O4S/c1-22-8-7-11-27-29(22)33-30(32-25-14-16-34(17-15-25)18-19-39-40(3,36)37)35(27)20-26-28(13-12-23(2)31-26)38-21-24-9-5-4-6-10-24/h4-13,25H,14-21H2,1-3H3,(H,32,33)