[5-[[cyclopropyl-(2-fluorophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[cyclopropyl-(2-fluorophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[cyclopropyl-[(2-fluorophenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3=CC=CC=C3F)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3=CC=CC=C3F)OC

InChI

InChI=1S/C20H22FNO5S/c1-3-28(24,25)27-19-12-14(8-11-18(19)26-2)13-22(15-9-10-15)20(23)16-6-4-5-7-17(16)21/h4-8,11-12,15H,3,9-10,13H2,1-2H3