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

Systemtic Name: (1-imidazol-1-yl-4-phenyl-butan-2-yl) methanesulfonate Openeye Name: [1-(imidazol-1-ylmethyl)-3-phenyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [1-(1-imidazolyl)-4-phenylbutan-2-yl] ester IUPAC Name: (1-imidazol-1-yl-4-phenylbutan-2-yl) methanesulfonate Traditional Name: methanesulfonic acid [1-(imidazol-1-ylmethyl)-3-phenyl-propyl] ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-20(17,18)19-14(11-16-10-9-15-12-16)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3