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

Systemtic Name: [3-[[butan-2-yl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[naphthalene-2-carbonyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[2-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(naphthalene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=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(=CC=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)24-12-11-22-8-4-5-9-23(22)18-24)19-21-7-6-10-26(17-21)34-35(32,33)27-15-13-25(29)14-16-27/h4-18,20H,3,19H2,1-2H3