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

Systemtic Name: [5-[[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[[(E)-3-phenylprop-2-enoyl]-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[[(E)-3-phenylacryloyl]-sec-butyl-amino]methyl]phenyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-5-17(2)23(22(24)14-12-18-9-7-6-8-10-18)16-19-11-13-20(27-3)21(15-19)28-29(4,25)26/h6-15,17H,5,16H2,1-4H3/b14-12+