N-[3-hexadecylsulfanyl-2-(1,2-oxazol-3-yloxy)propyl]-3-iodanyl-propane-1-sulfonamide

Systemtic Name: N-[3-hexadecylsulfanyl-2-(1,2-oxazol-3-yloxy)propyl]-3-iodanyl-propane-1-sulfonamide Openeye Name: N-(3-hexadecylsulfanyl-2-isoxazol-3-yloxy-propyl)-3-iodo-propane-1-sulfonamide CAS Name: N-[3-(hexadecylthio)-2-(3-isoxazolyloxy)propyl]-3-iodo-1-propanesulfonamide IUPAC Name: N-[3-hexadecylsulfanyl-2-(1,2-oxazol-3-yloxy)propyl]-3-iodopropane-1-sulfonamide Traditional Name: N-[3-(cetylthio)-2-isoxazol-3-yloxy-propyl]-3-iodo-propane-1-sulfonamide Formula: C25H47IN2O4S2 MolecularWeight: 630.68615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCCI)OC1=NOC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCCI)OC1=NOC=C1

InChI

InChI=1S/C25H47IN2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-33-23-24(32-25-17-19-31-28-25)22-27-34(29,30)21-16-18-26/h17,19,24,27H,2-16,18,20-23H2,1H3