[5-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(3-fluorophenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-fluorobenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C20H24FNO5S MolecularWeight: 409.471663

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)C2=CC(=CC=C2)F)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)C2=CC(=CC=C2)F)OC

InChI

InChI=1S/C20H24FNO5S/c1-5-28(24,25)27-19-11-15(9-10-18(19)26-4)13-22(14(2)3)20(23)16-7-6-8-17(21)12-16/h6-12,14H,5,13H2,1-4H3