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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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