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

Systemtic Name: [4-[[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(CCOC)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

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

InChI

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