tert-butyl N-[1-hexadecylsulfanyl-3-(3-iodanylpropylsulfonylamino)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-hexadecylsulfanyl-3-(3-iodanylpropylsulfonylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(hexadecylsulfanylmethyl)-2-(3-iodopropylsulfonylamino)ethyl]carbamate CAS Name: N-[1-(hexadecylthio)-3-(3-iodopropylsulfonylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-hexadecylsulfanyl-3-(3-iodopropylsulfonylamino)propan-2-yl]carbamate Traditional Name: N-[1-[(cetylthio)methyl]-2-(3-iodopropylsulfonylamino)ethyl]carbamic acid tert-butyl ester Formula: C27H55IN2O4S2 MolecularWeight: 662.77107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCCI)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCCI)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H55IN2O4S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35-24-25(30-26(31)34-27(2,3)4)23-29-36(32,33)22-19-20-28/h25,29H,5-24H2,1-4H3,(H,30,31)