[3-(3-iodanylpropylsulfonylamino)-2-(3-methyl-1,2,4-triazol-1-yl)propyl] N-octadecylcarbamate

Systemtic Name: [3-(3-iodanylpropylsulfonylamino)-2-(3-methyl-1,2,4-triazol-1-yl)propyl] N-octadecylcarbamate Openeye Name: [3-(3-iodopropylsulfonylamino)-2-(3-methyl-1,2,4-triazol-1-yl)propyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [3-(3-iodopropylsulfonylamino)-2-(3-methyl-1,2,4-triazol-1-yl)propyl] ester IUPAC Name: [3-(3-iodopropylsulfonylamino)-2-(3-methyl-1,2,4-triazol-1-yl)propyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [3-(3-iodopropylsulfonylamino)-2-(3-methyl-1,2,4-triazol-1-yl)propyl] ester Formula: C28H54IN5O4S MolecularWeight: 683.72893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCCI)N1C=NC(=N1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCCI)N1C=NC(=N1)C

InChI

InChI=1S/C28H54IN5O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-28(35)38-24-27(34-25-31-26(2)33-34)23-32-39(36,37)22-19-20-29/h25,27,32H,3-24H2,1-2H3,(H,30,35)