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

Systemtic Name: [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C23H24FNO7S2 MolecularWeight: 509.567563

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H24FNO7S2/c1-30-15-14-25(33(26,27)22-12-8-20(31-2)9-13-22)17-18-4-3-5-21(16-18)32-34(28,29)23-10-6-19(24)7-11-23/h3-13,16H,14-15,17H2,1-2H3