[2-methoxy-5-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(2-naphthylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl(2-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl(2-naphthylsulfonyl)amino]methyl]phenyl] ester Formula: C27H26FNO7S2 MolecularWeight: 559.626243

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H26FNO7S2/c1-34-16-15-29(37(30,31)25-11-8-21-5-3-4-6-22(21)18-25)19-20-7-14-26(35-2)27(17-20)36-38(32,33)24-12-9-23(28)10-13-24/h3-14,17-18H,15-16,19H2,1-2H3