[3-[[2-methoxyethyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methoxyethyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl(p-tolylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(tosyl)amino]methyl]phenyl] ester Formula: C23H24FNO6S2 MolecularWeight: 493.568163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H24FNO6S2/c1-18-6-10-22(11-7-18)32(26,27)25(14-15-30-2)17-19-4-3-5-21(16-19)31-33(28,29)23-12-8-20(24)9-13-23/h3-13,16H,14-15,17H2,1-2H3