phenyl N-[[(4-cyanophenyl)-pyrimidin-2-yl-amino]methyl]sulfamate

Systemtic Name: phenyl N-[[(4-cyanophenyl)-pyrimidin-2-yl-amino]methyl]sulfamate Openeye Name: phenyl N-[(4-cyano-N-pyrimidin-2-yl-anilino)methyl]sulfamate CAS Name: N-[[4-cyano-N-(2-pyrimidinyl)anilino]methyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[(4-cyano-N-pyrimidin-2-ylanilino)methyl]sulfamate Traditional Name: N-[[4-cyano-N-(2-pyrimidyl)anilino]methyl]sulfamic acid phenyl ester Formula: C18H15N5O3S MolecularWeight: 381.4084

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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=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)NCN(C2=CC=C(C=C2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C18H15N5O3S/c19-13-15-7-9-16(10-8-15)23(18-20-11-4-12-21-18)14-22-27(24,25)26-17-5-2-1-3-6-17/h1-12,22H,14H2