(phenylmethyl) 2-chloranyl-2-[4-(4-methylsulfonylphenyl)phenyl]propanoate

Systemtic Name: (phenylmethyl) 2-chloranyl-2-[4-(4-methylsulfonylphenyl)phenyl]propanoate Openeye Name: benzyl 2-chloro-2-[4-(4-methylsulfonylphenyl)phenyl]propanoate CAS Name: 2-chloro-2-[4-(4-methylsulfonylphenyl)phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-chloro-2-[4-(4-methylsulfonylphenyl)phenyl]propanoate Traditional Name: 2-chloro-2-[4-(4-mesylphenyl)phenyl]propionic acid benzyl ester Formula: C23H21ClO4S MolecularWeight: 428.92844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)(C(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)(C(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H21ClO4S/c1-23(24,22(25)28-16-17-6-4-3-5-7-17)20-12-8-18(9-13-20)19-10-14-21(15-11-19)29(2,26)27/h3-15H,16H2,1-2H3