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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCCI)NC(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCCI)NC(=O)OCCCC

InChI

InChI=1S/C27H55IN2O4S2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-35-25-26(30-27(31)34-21-6-4-2)24-29-36(32,33)23-19-20-28/h26,29H,3-25H2,1-2H3,(H,30,31)