4-[[4-(3H-benzimidazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-(3H-benzimidazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-(3H-benzimidazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-(3H-benzimidazol-5-ylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(3H-benzimidazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(3H-benzimidazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H14F3N7O2S MolecularWeight: 449.40967

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CN4)C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CN4)C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C18H14F3N7O2S/c19-18(20,21)13-8-23-17(27-10-1-4-12(5-2-10)31(22,29)30)28-16(13)26-11-3-6-14-15(7-11)25-9-24-14/h1-9H,(H,24,25)(H2,22,29,30)(H2,23,26,27,28)