[(2R)-3-phenyl-2-(2-phenyl-1,3-thiazol-4-yl)propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-phenyl-2-(2-phenyl-1,3-thiazol-4-yl)propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-3-phenyl-2-(2-phenylthiazol-4-yl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-phenyl-2-(2-phenyl-4-thiazolyl)propyl] ester IUPAC Name: [(2R)-3-phenyl-2-(2-phenyl-1,3-thiazol-4-yl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-3-phenyl-2-(2-phenylthiazol-4-yl)propyl] ester Formula: C25H23NO3S2 MolecularWeight: 449.58502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC=C2)C3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CC2=CC=CC=C2)C3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO3S2/c1-19-12-14-23(15-13-19)31(27,28)29-17-22(16-20-8-4-2-5-9-20)24-18-30-25(26-24)21-10-6-3-7-11-21/h2-15,18,22H,16-17H2,1H3/t22-/m0/s1