[3-[[cyclopropyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[cyclopropyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C19H20FNO5S MolecularWeight: 393.429203

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

Isomeric SMILES

COCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3CC3

InChI

InChI=1S/C19H20FNO5S/c1-25-13-19(22)21(16-7-8-16)12-14-3-2-4-17(11-14)26-27(23,24)18-9-5-15(20)6-10-18/h2-6,9-11,16H,7-8,12-13H2,1H3