[1-(2-ethylhexoxy)-3-(ethylsulfonylamino)propan-2-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [1-(2-ethylhexoxy)-3-(ethylsulfonylamino)propan-2-yl] (E)-3-phenylprop-2-enoate Openeye Name: [1-(2-ethylhexoxymethyl)-2-(ethylsulfonylamino)ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [1-(2-ethylhexoxy)-3-(ethylsulfonylamino)propan-2-yl] ester IUPAC Name: [1-(2-ethylhexoxy)-3-(ethylsulfonylamino)propan-2-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [1-[(esylamino)methyl]-2-(2-ethylhexoxy)ethyl] ester Formula: C22H35NO5S MolecularWeight: 425.582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC(CNS(=O)(=O)CC)OC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)COCC(CNS(=O)(=O)CC)OC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C22H35NO5S/c1-4-7-11-19(5-2)17-27-18-21(16-23-29(25,26)6-3)28-22(24)15-14-20-12-9-8-10-13-20/h8-10,12-15,19,21,23H,4-7,11,16-18H2,1-3H3/b15-14+