[2-methoxy-5-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl-[(E)-3-phenylacryloyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C23H29NO5S MolecularWeight: 431.54506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)C=CC2=CC=CC=C2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)/C=C/C2=CC=CC=C2)OC

InChI

InChI=1S/C23H29NO5S/c1-5-30(26,27)29-22-15-20(11-13-21(22)28-4)17-24(16-18(2)3)23(25)14-12-19-9-7-6-8-10-19/h6-15,18H,5,16-17H2,1-4H3/b14-12+