[2-methoxy-5-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(1-naphthylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl(1-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl(1-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=CC=CC4=CC=CC=C43

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

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