[3-[[2,2-diphenylethanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2,2-diphenylethanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2,2-diphenylacetyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(1-oxo-2,2-diphenylethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2,2-diphenylacetyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2,2-diphenylacetyl)-isopropyl-amino]methyl]phenyl] ester Formula: C30H28FNO4S MolecularWeight: 517.611023

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H28FNO4S/c1-22(2)32(30(33)29(24-11-5-3-6-12-24)25-13-7-4-8-14-25)21-23-10-9-15-27(20-23)36-37(34,35)28-18-16-26(31)17-19-28/h3-20,22,29H,21H2,1-2H3