[4-[2-(12-pyrimidin-2-ylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-(12-pyrimidin-2-ylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate Openeye Name: [4-[2-(12-pyrimidin-2-ylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[1-oxo-12-(2-pyrimidinylthio)dodecyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-(12-pyrimidin-2-ylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[12-(2-pyrimidylthio)dodecanoylamino]ethyl]phenyl] ester Formula: C24H36N4O4S2 MolecularWeight: 508.69704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCCCCCCCCCCC(=O)NCCC2=CC=C(C=C2)OS(=O)(=O)N

Isomeric SMILES

C1=CN=C(N=C1)SCCCCCCCCCCCC(=O)NCCC2=CC=C(C=C2)OS(=O)(=O)N

InChI

InChI=1S/C24H36N4O4S2/c25-34(30,31)32-22-14-12-21(13-15-22)16-19-26-23(29)11-8-6-4-2-1-3-5-7-9-20-33-24-27-17-10-18-28-24/h10,12-15,17-18H,1-9,11,16,19-20H2,(H,26,29)(H2,25,30,31)