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

Systemtic Name: [3-[[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[mesitylsulfonyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H29NO6S2 MolecularWeight: 455.58806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6S2/c1-6-29(23,24)28-20-9-7-8-19(14-20)15-22(10-11-27-5)30(25,26)21-17(3)12-16(2)13-18(21)4/h7-9,12-14H,6,10-11,15H2,1-5H3