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

Systemtic Name: [4-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl-[(E)-3-phenylacryloyl]amino]methyl]phenyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-4-28(25,26)27-21-13-10-20(11-14-21)17-23(16-18(2)3)22(24)15-12-19-8-6-5-7-9-19/h5-15,18H,4,16-17H2,1-3H3/b15-12+