[2-(cyanomethyl)-3-(3-iodanylpropylsulfonylamino)propyl] N-octadecylcarbamate

Systemtic Name: [2-(cyanomethyl)-3-(3-iodanylpropylsulfonylamino)propyl] N-octadecylcarbamate Openeye Name: [2-(cyanomethyl)-3-(3-iodopropylsulfonylamino)propyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [2-(cyanomethyl)-3-(3-iodopropylsulfonylamino)propyl] ester IUPAC Name: [2-(cyanomethyl)-3-(3-iodopropylsulfonylamino)propyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [2-(cyanomethyl)-3-(3-iodopropylsulfonylamino)propyl] ester Formula: C27H52IN3O4S MolecularWeight: 641.68895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC#N)CNS(=O)(=O)CCCI

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC#N)CNS(=O)(=O)CCCI

InChI

InChI=1S/C27H52IN3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-27(32)35-25-26(19-21-29)24-31-36(33,34)23-18-20-28/h26,31H,2-20,22-25H2,1H3,(H,30,32)