3-[[5-cyano-2-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-cyano-2-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-cyano-2-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 3-[[5-cyano-2-(4-phenoxyanilino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-cyano-2-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-cyano-2-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C23H18N6O3S MolecularWeight: 458.49242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)S(=O)(=O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)S(=O)(=O)N)C#N

InChI

InChI=1S/C23H18N6O3S/c24-14-16-15-26-23(29-22(16)27-18-5-4-8-21(13-18)33(25,30)31)28-17-9-11-20(12-10-17)32-19-6-2-1-3-7-19/h1-13,15H,(H2,25,30,31)(H2,26,27,28,29)