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

Systemtic Name: [3-[[cyclopropyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclopropyl-(3-fluorobenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[cyclopropyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropyl-(3-fluorobenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclopropyl-(3-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=CC(=C1)CN(C2CC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

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