[4-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isobutyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-methylpropyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isobutyl-[(E)-3-phenylacryloyl]amino]methyl]phenyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-17(2)15-22(21(23)14-11-18-7-5-4-6-8-18)16-19-9-12-20(13-10-19)26-27(3,24)25/h4-14,17H,15-16H2,1-3H3/b14-11+