4-[4-(1-benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide Openeye Name: 4-[4-(benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide CAS Name: 4-[4-(1-benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide Traditional Name: 4-[4-(benzothiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide Formula: C20H15F3N4O2S2 MolecularWeight: 464.48391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CNC3=NC(=NC(=C3)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CNC3=NC(=NC(=C3)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H15F3N4O2S2/c21-20(22,23)17-9-18(25-10-13-11-30-16-4-2-1-3-15(13)16)27-19(26-17)12-5-7-14(8-6-12)31(24,28)29/h1-9,11H,10H2,(H2,24,28,29)(H,25,26,27)