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

Systemtic Name: phenyl N-[[(4-cyanophenyl)-pyridin-4-yl-amino]methyl]sulfamate Openeye Name: phenyl N-[[4-cyano-N-(4-pyridyl)anilino]methyl]sulfamate CAS Name: N-[(4-cyano-N-pyridin-4-ylanilino)methyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[(4-cyano-N-pyridin-4-ylanilino)methyl]sulfamate Traditional Name: N-[[4-cyano-N-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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