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[4-[2-(12-methylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate

[4-[2-(12-methylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate

Systemtic Name:[4-[2-(12-methylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate
Openeye Name:[4-[2-(12-methylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate
CAS Name:sulfamic acid [4-[2-[[12-(methylthio)-1-oxododecyl]amino]ethyl]phenyl] ester
IUPAC Name:[4-[2-(12-methylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate
Traditional Name:sulfamic acid [4-[2-[12-(methylthio)dodecanoylamino]ethyl]phenyl] ester
Formula: C21H36N2O4S2
MolecularWeight: 444.65154
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H36N2O4S2/c1-28-18-10-8-6-4-2-3-5-7-9-11-21(24)23-17-16-19-12-14-20(15-13-19)27-29(22,25)26/h12-15H,2-11,16-18H2,1H3,(H,23,24)(H2,22,25,26)


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