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

Systemtic Name: 2-[[4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]methoxycarbonyl-methyl-amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[4-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methoxycarbonyl-methyl-amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[[4-[[(heptadecylamino)-oxomethoxy]methyl]-2-oxolanyl]methoxy-oxomethyl]-methylamino]ethyl ester IUPAC Name: 2-[[4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]methoxycarbonyl-methylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[4-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methoxycarbonyl-methyl-amino]ethyl ester Formula: C35H60N2O8S MolecularWeight: 668.9245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H60N2O8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-36-34(38)43-28-31-26-32(42-27-31)29-44-35(39)37(3)24-25-45-46(40,41)33-21-19-30(2)20-22-33/h19-22,31-32H,4-18,23-29H2,1-3H3,(H,36,38)