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

Systemtic Name: [3-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(mesitylsulfonyl)amino]methyl]phenyl] ester Formula: C22H31NO5S2 MolecularWeight: 453.61524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C22H31NO5S2/c1-7-29(24,25)28-21-10-8-9-20(13-21)15-23(14-16(2)3)30(26,27)22-18(5)11-17(4)12-19(22)6/h8-13,16H,7,14-15H2,1-6H3