ethyl 4-(6-methylsulfonyloxyhexadecylamino)benzoate

Systemtic Name: ethyl 4-(6-methylsulfonyloxyhexadecylamino)benzoate Openeye Name: ethyl 4-(6-methylsulfonyloxyhexadecylamino)benzoate CAS Name: 4-(6-methylsulfonyloxyhexadecylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-methylsulfonyloxyhexadecylamino)benzoate Traditional Name: 4-(6-methylsulfonyloxyhexadecylamino)benzoic acid ethyl ester Formula: C26H45NO5S MolecularWeight: 483.7042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCNC1=CC=C(C=C1)C(=O)OCC)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCC(CCCCCNC1=CC=C(C=C1)C(=O)OCC)OS(=O)(=O)C

InChI

InChI=1S/C26H45NO5S/c1-4-6-7-8-9-10-11-13-16-25(32-33(3,29)30)17-14-12-15-22-27-24-20-18-23(19-21-24)26(28)31-5-2/h18-21,25,27H,4-17,22H2,1-3H3