[3-[[[(E)-3-phenylprop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[[(E)-3-phenylprop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(E)-1-oxo-3-phenylprop-2-enyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl-[(E)-3-phenylacryloyl]amino]methyl]phenyl] ester Formula: C25H24FNO4S MolecularWeight: 453.525763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H24FNO4S/c1-19(2)27(25(28)16-11-20-7-4-3-5-8-20)18-21-9-6-10-23(17-21)31-32(29,30)24-14-12-22(26)13-15-24/h3-17,19H,18H2,1-2H3/b16-11+