(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl) methanesulfonate

Systemtic Name: (1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl) methanesulfonate Openeye Name: [1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [1-(1-imidazolyl)-4-pyridin-4-ylbutan-2-yl] ester IUPAC Name: (1-imidazol-1-yl-4-pyridin-4-ylbutan-2-yl) methanesulfonate Traditional Name: methanesulfonic acid [1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl] ester Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC1=CC=NC=C1)CN2C=CN=C2

Isomeric SMILES

CS(=O)(=O)OC(CCC1=CC=NC=C1)CN2C=CN=C2

InChI

InChI=1S/C13H17N3O3S/c1-20(17,18)19-13(10-16-9-8-15-11-16)3-2-12-4-6-14-7-5-12/h4-9,11,13H,2-3,10H2,1H3