[3-[[(4-hexylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-hexylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-hexylbenzoyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(4-hexylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-hexylbenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-hexylbenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C29H34FNO4S MolecularWeight: 511.647963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C

InChI

InChI=1S/C29H34FNO4S/c1-4-5-6-7-9-23-12-14-25(15-13-23)29(32)31(22(2)3)21-24-10-8-11-27(20-24)35-36(33,34)28-18-16-26(30)17-19-28/h8,10-20,22H,4-7,9,21H2,1-3H3