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

Systemtic Name: [5-[[(4-ethylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-ethylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-ethylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-ethylbenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-ethylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C26H28FNO5S MolecularWeight: 485.567623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C26H28FNO5S/c1-5-19-6-9-21(10-7-19)26(29)28(18(2)3)17-20-8-15-24(32-4)25(16-20)33-34(30,31)23-13-11-22(27)12-14-23/h6-16,18H,5,17H2,1-4H3