[4-[[4-(2-phenylethynyl)phenyl]carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[4-(2-phenylethynyl)phenyl]carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[4-(2-phenylethynyl)benzoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[oxo-[4-(2-phenylethynyl)phenyl]methyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[4-(2-phenylethynyl)benzoyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[4-(2-phenylethynyl)benzoyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C25H17N4O3S- MolecularWeight: 453.49248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

InChI

InChI=1S/C25H18N4O3S/c30-24(21-11-9-20(10-12-21)8-7-19-5-2-1-3-6-19)28-22-13-15-23(16-14-22)33(31,32)29-25-26-17-4-18-27-25/h1-6,9-18H,(H2,26,27,28,29,30)/p-1