[4-[2-[(6-octylsulfanylpyridin-3-yl)carbonylamino]ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-[(6-octylsulfanylpyridin-3-yl)carbonylamino]ethyl]phenyl] sulfamate Openeye Name: [4-[2-[(6-octylsulfanylpyridine-3-carbonyl)amino]ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[[6-(octylthio)-3-pyridinyl]-oxomethyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-[(6-octylsulfanylpyridine-3-carbonyl)amino]ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[[6-(octylthio)nicotinoyl]amino]ethyl]phenyl] ester Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)OS(=O)(=O)N

Isomeric SMILES

CCCCCCCCSC1=NC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)OS(=O)(=O)N

InChI

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