[4-[2-(3-decylsulfanylpropanoylamino)ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-(3-decylsulfanylpropanoylamino)ethyl]phenyl] sulfamate Openeye Name: [4-[2-(3-decylsulfanylpropanoylamino)ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[3-(decylthio)-1-oxopropyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-(3-decylsulfanylpropanoylamino)ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[3-(decylthio)propanoylamino]ethyl]phenyl] ester Formula: C21H36N2O4S2 MolecularWeight: 444.65154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSCCC(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)N

Isomeric SMILES

CCCCCCCCCCSCCC(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)N

InChI

InChI=1S/C21H36N2O4S2/c1-2-3-4-5-6-7-8-9-17-28-18-15-21(24)23-16-14-19-10-12-20(13-11-19)27-29(22,25)26/h10-13H,2-9,14-18H2,1H3,(H,23,24)(H2,22,25,26)