4-[4-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide

Systemtic Name: 4-[4-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide Openeye Name: 4-[4-(2-furylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide CAS Name: 4-[4-(2-furanylmethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide Traditional Name: 4-[4-(2-furfurylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide Formula: C16H13F3N4O3S MolecularWeight: 398.35963

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=COC(=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H13F3N4O3S/c17-16(18,19)13-8-14(21-9-11-2-1-7-26-11)23-15(22-13)10-3-5-12(6-4-10)27(20,24)25/h1-8H,9H2,(H2,20,24,25)(H,21,22,23)