[3-[2-(4-dodecoxyphenyl)ethanoylamino]phenyl]methyl methanesulfonate

Systemtic Name: [3-[2-(4-dodecoxyphenyl)ethanoylamino]phenyl]methyl methanesulfonate Openeye Name: [3-[[2-(4-dodecoxyphenyl)acetyl]amino]phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[[2-(4-dodecoxyphenyl)-1-oxoethyl]amino]phenyl]methyl ester IUPAC Name: [3-[[2-(4-dodecoxyphenyl)acetyl]amino]phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-(4-lauryloxyphenyl)acetyl]amino]benzyl] ester Formula: C28H41NO5S MolecularWeight: 503.69384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)COS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)COS(=O)(=O)C

InChI

InChI=1S/C28H41NO5S/c1-3-4-5-6-7-8-9-10-11-12-20-33-27-18-16-24(17-19-27)22-28(30)29-26-15-13-14-25(21-26)23-34-35(2,31)32/h13-19,21H,3-12,20,22-23H2,1-2H3,(H,29,30)