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

Systemtic Name: [4-[[(4-butoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-butoxybenzoyl)-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(4-butoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-butoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-butoxybenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C28H32FNO5S MolecularWeight: 513.620783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32FNO5S/c1-4-5-18-34-25-14-8-23(9-15-25)28(31)30(19-21(2)3)20-22-6-12-26(13-7-22)35-36(32,33)27-16-10-24(29)11-17-27/h6-17,21H,4-5,18-20H2,1-3H3