[4-[[2,2-diphenylethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2,2-diphenylethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2,2-diphenylacetyl)-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methylpropyl-(1-oxo-2,2-diphenylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,2-diphenylacetyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(2,2-diphenylacetyl)-isobutyl-amino]methyl]phenyl] ester Formula: C31H30FNO4S MolecularWeight: 531.637603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H30FNO4S/c1-23(2)21-33(31(34)30(25-9-5-3-6-10-25)26-11-7-4-8-12-26)22-24-13-17-28(18-14-24)37-38(35,36)29-19-15-27(32)16-20-29/h3-20,23,30H,21-22H2,1-2H3