[2-methoxy-5-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(mesitylsulfonyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H33NO6S2 MolecularWeight: 483.64122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO6S2/c1-8-31(25,26)30-22-13-20(9-10-21(22)29-7)15-24(14-16(2)3)32(27,28)23-18(5)11-17(4)12-19(23)6/h9-13,16H,8,14-15H2,1-7H3