[3-[[(4-tert-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-tert-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-tert-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(4-tert-butylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-tert-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-tert-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C27H30FNO5S MolecularWeight: 499.594203

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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