2-[[4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]-methoxycarbonyl-amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]-methoxycarbonyl-amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[4-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]-methoxycarbonyl-amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[4-[[(heptadecylamino)-oxomethoxy]methyl]-2-oxolanyl]-methoxycarbonylamino]ethyl ester IUPAC Name: 2-[[4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]-methoxycarbonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[carbomethoxy-[4-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]amino]ethyl ester Formula: C34H58N2O8S MolecularWeight: 654.89792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C34H58N2O8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-35-33(37)43-28-30-26-32(42-27-30)36(34(38)41-3)24-25-44-45(39,40)31-21-19-29(2)20-22-31/h19-22,30,32H,4-18,23-28H2,1-3H3,(H,35,37)