[4-[[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl(1-naphthylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methylpropyl(1-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isobutyl(1-naphthylsulfonyl)amino]methyl]phenyl] ester Formula: C27H26FNO5S2 MolecularWeight: 527.627443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26FNO5S2/c1-20(2)18-29(35(30,31)27-9-5-7-22-6-3-4-8-26(22)27)19-21-10-14-24(15-11-21)34-36(32,33)25-16-12-23(28)13-17-25/h3-17,20H,18-19H2,1-2H3