[4-[[butan-2-yl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[naphthalene-2-carbonyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[2-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(naphthalene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-naphthoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C28H26FNO4S MolecularWeight: 491.573743

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H26FNO4S/c1-3-20(2)30(28(31)24-11-10-22-6-4-5-7-23(22)18-24)19-21-8-14-26(15-9-21)34-35(32,33)27-16-12-25(29)13-17-27/h4-18,20H,3,19H2,1-2H3