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

Systemtic Name: [5-[[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[[(E)-3-phenylprop-2-enoyl]-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[[(E)-3-phenylacryloyl]-sec-butyl-amino]methyl]phenyl] ester Formula: C27H28FNO5S MolecularWeight: 497.578323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28FNO5S/c1-4-20(2)29(27(30)17-11-21-8-6-5-7-9-21)19-22-10-16-25(33-3)26(18-22)34-35(31,32)24-14-12-23(28)13-15-24/h5-18,20H,4,19H2,1-3H3/b17-11+