[4-[[2-methoxyethyl-[(2R)-2-phenylcyclopropyl]carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-methoxyethyl-[(2R)-2-phenylcyclopropyl]carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-methoxyethyl-[(2R)-2-phenylcyclopropanecarbonyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-[oxo-[(2R)-2-phenylcyclopropyl]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl-[(2R)-2-phenylcyclopropanecarbonyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-[(2R)-2-phenylcyclopropanecarbonyl]amino]methyl]phenyl] ester Formula: C26H26FNO5S MolecularWeight: 483.551743

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CC3C4=CC=CC=C4

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3C[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C26H26FNO5S/c1-32-16-15-28(26(29)25-17-24(25)20-5-3-2-4-6-20)18-19-7-11-22(12-8-19)33-34(30,31)23-13-9-21(27)10-14-23/h2-14,24-25H,15-18H2,1H3/t24-,25?/m0/s1