[5-[[2,2-diethoxyethyl-(4-methylphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-[[2,2-diethoxyethyl-(4-methylphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-[[2,2-diethoxyethyl(p-tolylsulfonyl)amino]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[[2,2-diethoxyethyl-(4-methylphenyl)sulfonylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[2,2-diethoxyethyl-(4-methylphenyl)sulfonylamino]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[[2,2-diethoxyethyl(tosyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C28H35NO8S2 MolecularWeight: 577.7094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC(CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C28H35NO8S2/c1-6-35-28(36-7-2)20-29(38(30,31)24-13-8-21(3)9-14-24)19-23-12-17-26(34-5)27(18-23)37-39(32,33)25-15-10-22(4)11-16-25/h8-18,28H,6-7,19-20H2,1-5H3