2-[[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonylamino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonylamino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonylamino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[[2-methoxy-3-[(octadecylamino)-oxomethoxy]propoxy]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[2-methoxy-3-(stearylcarbamoyloxy)propoxy]carbonylamino]ethyl ester Formula: C33H58N2O8S MolecularWeight: 642.88722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCCOS(=O)(=O)C1=CC=C(C=C1)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCCOS(=O)(=O)C1=CC=C(C=C1)C)OC

InChI

InChI=1S/C33H58N2O8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-32(36)41-27-30(40-3)28-42-33(37)35-25-26-43-44(38,39)31-22-20-29(2)21-23-31/h20-23,30H,4-19,24-28H2,1-3H3,(H,34,36)(H,35,37)