[3-[[(4-ethylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-ethylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-ethylbenzoyl)-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(4-ethylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethylbenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-ethylbenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C26H28FNO4S MolecularWeight: 469.568223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28FNO4S/c1-4-20-8-10-22(11-9-20)26(29)28(17-19(2)3)18-21-6-5-7-24(16-21)32-33(30,31)25-14-12-23(27)13-15-25/h5-16,19H,4,17-18H2,1-3H3