4-[[5-azanyl-6-[2-fluoranyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-6-[2-fluoranyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C17H13F4N5O2S MolecularWeight: 427.376033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC(=C2N)C3=C(C=C(C=C3)C(F)(F)F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC(=C2N)C3=C(C=C(C=C3)C(F)(F)F)F)S(=O)(=O)N

InChI

InChI=1S/C17H13F4N5O2S/c18-13-7-9(17(19,20)21)1-6-12(13)15-14(22)16(25-8-24-15)26-10-2-4-11(5-3-10)29(23,27)28/h1-8H,22H2,(H2,23,27,28)(H,24,25,26)