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

Systemtic Name: [3-[[naphthalen-2-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl(naphthalene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[2-naphthalenyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[naphthalene-2-carbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl(2-naphthoyl)amino]methyl]phenyl] ester Formula: C27H24FNO4S MolecularWeight: 477.547163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C27H24FNO4S/c1-19(2)29(27(30)23-11-10-21-7-3-4-8-22(21)17-23)18-20-6-5-9-25(16-20)33-34(31,32)26-14-12-24(28)13-15-26/h3-17,19H,18H2,1-2H3