[3-[[(2-chloranyl-2-phenyl-ethanoyl)-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(2-chloranyl-2-phenyl-ethanoyl)-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2-chloro-2-phenyl-acetyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(2-chloro-1-oxo-2-phenylethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-chloro-2-phenylacetyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2-chloro-2-phenyl-acetyl)-isopropyl-amino]methyl]phenyl] ester Formula: C24H23ClFNO4S MolecularWeight: 475.960123

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)C(C3=CC=CC=C3)Cl

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)Cl

InChI

InChI=1S/C24H23ClFNO4S/c1-17(2)27(24(28)23(25)19-8-4-3-5-9-19)16-18-7-6-10-21(15-18)31-32(29,30)22-13-11-20(26)12-14-22/h3-15,17,23H,16H2,1-2H3