phenyl N-[[(4-cyanophenyl)-imidazol-1-yl-amino]methyl]sulfamate

Systemtic Name: phenyl N-[[(4-cyanophenyl)-imidazol-1-yl-amino]methyl]sulfamate Openeye Name: phenyl N-[(4-cyano-N-imidazol-1-yl-anilino)methyl]sulfamate CAS Name: N-[[4-cyano-N-(1-imidazolyl)anilino]methyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[(4-cyano-N-imidazol-1-ylanilino)methyl]sulfamate Traditional Name: N-[(4-cyano-N-imidazol-1-yl-anilino)methyl]sulfamic acid phenyl ester Formula: C17H15N5O3S MolecularWeight: 369.3977

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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)N3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)NCN(C2=CC=C(C=C2)C#N)N3C=CN=C3

InChI

InChI=1S/C17H15N5O3S/c18-12-15-6-8-16(9-7-15)22(21-11-10-19-13-21)14-20-26(23,24)25-17-4-2-1-3-5-17/h1-11,13,20H,14H2