[(2S)-1-imidazol-1-yl-3-phenoxy-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-imidazol-1-yl-3-phenoxy-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-(imidazol-1-ylmethyl)-2-phenoxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-(1-imidazolyl)-3-phenoxypropan-2-yl] ester IUPAC Name: [(2S)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-(imidazol-1-ylmethyl)-2-phenoxy-ethyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CN2C=CN=C2)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CN2C=CN=C2)COC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4S/c1-16-7-9-19(10-8-16)26(22,23)25-18(13-21-12-11-20-15-21)14-24-17-5-3-2-4-6-17/h2-12,15,18H,13-14H2,1H3/t18-/m0/s1