N-(4,5-dicyano-1H-imidazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzenecarboximidate

Systemtic Name: N-(4,5-dicyano-1H-imidazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzenecarboximidate Openeye Name: N-(4,5-dicyano-1H-imidazol-2-yl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzenecarboximidate CAS Name: N-(4,5-dicyano-1H-imidazol-2-yl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzenecarboximidate IUPAC Name: N-(4,5-dicyano-1H-imidazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenecarboximidate Traditional Name: N-(4,5-dicyano-1H-imidazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-benzenecarboximidate Formula: C19H19N6O3S- MolecularWeight: 411.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=NC3=NC(=C(N3)C#N)C#N)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=NC3=NC(=C(N3)C#N)C#N)[O-])C

InChI

InChI=1S/C19H20N6O3S/c1-12-7-13(2)11-25(10-12)29(27,28)15-5-3-14(4-6-15)18(26)24-19-22-16(8-20)17(9-21)23-19/h3-6,12-13H,7,10-11H2,1-2H3,(H2,22,23,24,26)/p-1/t12-,13-/m0/s1