[4-[2-[(2-octylsulfanylpyridin-3-yl)carbonylamino]ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-[(2-octylsulfanylpyridin-3-yl)carbonylamino]ethyl]phenyl] sulfamate Openeye Name: [4-[2-[(2-octylsulfanylpyridine-3-carbonyl)amino]ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[[2-(octylthio)-3-pyridinyl]-oxomethyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-[(2-octylsulfanylpyridine-3-carbonyl)amino]ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[[2-(octylthio)nicotinoyl]amino]ethyl]phenyl] ester Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C=CC=N1)C(=O)NCCC2=CC=C(C=C2)OS(=O)(=O)N

Isomeric SMILES

CCCCCCCCSC1=C(C=CC=N1)C(=O)NCCC2=CC=C(C=C2)OS(=O)(=O)N

InChI

InChI=1S/C22H31N3O4S2/c1-2-3-4-5-6-7-17-30-22-20(9-8-15-25-22)21(26)24-16-14-18-10-12-19(13-11-18)29-31(23,27)28/h8-13,15H,2-7,14,16-17H2,1H3,(H,24,26)(H2,23,27,28)