[4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester Formula: C22H19NO4S MolecularWeight: 393.45556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)C3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)C3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C22H19NO4S/c1-14-4-8-17(9-5-14)28(24,25)27-20-10-6-15(2)12-18(20)22-23-19-13-16(3)7-11-21(19)26-22/h4-13H,1-3H3