[4-(4-nitrophenyl)sulfanylphenyl]methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C23H21NO6S2 MolecularWeight: 471.54594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21NO6S2/c1-17-2-12-22(13-3-17)32(28,29)15-14-23(25)30-16-18-4-8-20(9-5-18)31-21-10-6-19(7-11-21)24(26)27/h2-13H,14-16H2,1H3