[5-[[(4-butylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(4-butylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-butylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-butylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-butylbenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-butylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C28H32FNO5S MolecularWeight: 513.620783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32FNO5S/c1-5-6-7-21-8-11-23(12-9-21)28(31)30(20(2)3)19-22-10-17-26(34-4)27(18-22)35-36(32,33)25-15-13-24(29)14-16-25/h8-18,20H,5-7,19H2,1-4H3