[2-methyl-6-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)sulfonylamino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-6-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)sulfonylamino]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-6-(p-tolylsulfonyl)-4-(p-tolylsulfonylamino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-6-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [2-methyl-6-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)sulfonylamino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-6-tosyl-4-(tosylamino)phenyl] ester Formula: C28H27NO7S3 MolecularWeight: 585.71148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H27NO7S3/c1-19-5-11-24(12-6-19)37(30,31)27-18-23(29-38(32,33)25-13-7-20(2)8-14-25)17-22(4)28(27)36-39(34,35)26-15-9-21(3)10-16-26/h5-18,29H,1-4H3