[3-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl(mesitylsulfonyl)amino]methyl]phenyl] ester Formula: C21H29NO5S2 MolecularWeight: 439.58866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C)C

InChI

InChI=1S/C21H29NO5S2/c1-15(2)13-22(14-19-8-7-9-20(12-19)27-28(6,23)24)29(25,26)21-17(4)10-16(3)11-18(21)5/h7-12,15H,13-14H2,1-6H3