[4-[[(4-ethylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-ethylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-ethylbenzoyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(4-ethylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-ethylbenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-ethylbenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C25H26FNO4S MolecularWeight: 455.541643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C

InChI

InChI=1S/C25H26FNO4S/c1-4-19-5-9-21(10-6-19)25(28)27(18(2)3)17-20-7-13-23(14-8-20)31-32(29,30)24-15-11-22(26)12-16-24/h5-16,18H,4,17H2,1-3H3