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

Systemtic Name: [4-[[(4-butoxyphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-butoxybenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(4-butoxyphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-butoxybenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-butoxybenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C27H30FNO6S MolecularWeight: 515.593603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC1=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/C27H30FNO6S/c1-3-4-18-34-24-13-7-22(8-14-24)27(30)29(17-19-33-2)20-21-5-11-25(12-6-21)35-36(31,32)26-15-9-23(28)10-16-26/h5-16H,3-4,17-20H2,1-2H3