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

Systemtic Name: 3-[4-(1,3-benzoxazol-2-yl)phenyl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[4-(1,3-benzoxazol-2-yl)phenyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[4-(1,3-benzoxazol-2-yl)phenyl]propyl ester IUPAC Name: 3-[4-(1,3-benzoxazol-2-yl)phenyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[4-(1,3-benzoxazol-2-yl)phenyl]propyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H21NO4S/c1-17-8-14-20(15-9-17)29(25,26)27-16-4-5-18-10-12-19(13-11-18)23-24-21-6-2-3-7-22(21)28-23/h2-3,6-15H,4-5,16H2,1H3