[4-[[(4-tert-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-tert-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-tert-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(4-tert-butylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-tert-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C27H30FNO5S MolecularWeight: 499.594203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30FNO5S/c1-27(2,3)22-9-7-21(8-10-22)26(30)29(17-18-33-4)19-20-5-13-24(14-6-20)34-35(31,32)25-15-11-23(28)12-16-25/h5-16H,17-19H2,1-4H3