[4-[[(4-cyanophenyl)-pyridin-3-ylcarbonyl-amino]methyl]phenyl] sulfamate

Systemtic Name: [4-[[(4-cyanophenyl)-pyridin-3-ylcarbonyl-amino]methyl]phenyl] sulfamate Openeye Name: [4-[[4-cyano-N-(pyridine-3-carbonyl)anilino]methyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[(4-cyano-N-[oxo(3-pyridinyl)methyl]anilino)methyl]phenyl] ester IUPAC Name: [4-[[4-cyano-N-(pyridine-3-carbonyl)anilino]methyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[(4-cyano-N-nicotinoyl-anilino)methyl]phenyl] ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)N)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16N4O4S/c21-12-15-3-7-18(8-4-15)24(20(25)17-2-1-11-23-13-17)14-16-5-9-19(10-6-16)28-29(22,26)27/h1-11,13H,14H2,(H2,22,26,27)