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

Systemtic Name: phenyl N-[[(4-cyanophenyl)-pyridin-3-yl-amino]methyl]sulfamate Openeye Name: phenyl N-[[4-cyano-N-(3-pyridyl)anilino]methyl]sulfamate CAS Name: N-[[4-cyano-N-(3-pyridinyl)anilino]methyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[(4-cyano-N-pyridin-3-ylanilino)methyl]sulfamate Traditional Name: N-[[4-cyano-N-(3-pyridyl)anilino]methyl]sulfamic acid phenyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S/c20-13-16-8-10-17(11-9-16)23(18-5-4-12-21-14-18)15-22-27(24,25)26-19-6-2-1-3-7-19/h1-12,14,22H,15H2