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

Systemtic Name: [4-[2-[[6-(6-cyanohexylsulfanyl)pyridin-3-yl]carbonylamino]ethyl]phenyl] sulfamate Openeye Name: [4-[2-[[6-(6-cyanohexylsulfanyl)pyridine-3-carbonyl]amino]ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[[6-(6-cyanohexylthio)-3-pyridinyl]-oxomethyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-[[6-(6-cyanohexylsulfanyl)pyridine-3-carbonyl]amino]ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[[6-(6-cyanohexylthio)nicotinoyl]amino]ethyl]phenyl] ester Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CN=C(C=C2)SCCCCCCC#N)OS(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CN=C(C=C2)SCCCCCCC#N)OS(=O)(=O)N

InChI

InChI=1S/C21H26N4O4S2/c22-13-4-2-1-3-5-15-30-20-11-8-18(16-25-20)21(26)24-14-12-17-6-9-19(10-7-17)29-31(23,27)28/h6-11,16H,1-5,12,14-15H2,(H,24,26)(H2,23,27,28)