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

Systemtic Name: [5-[[cyclopropyl-(3-fluorophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclopropyl-(3-fluorobenzoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[cyclopropyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl-(3-fluorobenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclopropyl-(3-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=C3)F)OC

Isomeric SMILES

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

InChI

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