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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1=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/c1-3-4-6-21-9-11-23(12-10-21)27(30)29(17-18-33-2)20-22-7-5-8-25(19-22)34-35(31,32)26-15-13-24(28)14-16-26/h5,7-16,19H,3-4,6,17-18,20H2,1-2H3