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

Systemtic Name: [4-[[cyclopropyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[cyclopropyl-[(2-fluorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[cyclopropyl-(2-fluorobenzoyl)amino]methyl]phenyl] ester Formula: C19H20FNO4S MolecularWeight: 377.429803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO4S/c1-2-26(23,24)25-16-11-7-14(8-12-16)13-21(15-9-10-15)19(22)17-5-3-4-6-18(17)20/h3-8,11-12,15H,2,9-10,13H2,1H3