[4-[[2-methylpropyl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-methylpropyl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methylpropyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isobutyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] ester Formula: C25H26FNO5S2 MolecularWeight: 503.606043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FNO5S2/c1-20(2)18-27(33(28,29)17-16-21-6-4-3-5-7-21)19-22-8-12-24(13-9-22)32-34(30,31)25-14-10-23(26)11-15-25/h3-17,20H,18-19H2,1-2H3/b17-16+