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

Systemtic Name: 4-[4-(thiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide Openeye Name: 4-[4-(3-thienylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide CAS Name: 4-[4-(3-thiophenylmethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(thiophen-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide Traditional Name: 4-[4-(3-thenylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide Formula: C16H13F3N4O2S2 MolecularWeight: 414.42523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CC(=N2)NCC3=CSC=C3)C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=CC(=N2)NCC3=CSC=C3)C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C16H13F3N4O2S2/c17-16(18,19)13-7-14(21-8-10-5-6-26-9-10)23-15(22-13)11-1-3-12(4-2-11)27(20,24)25/h1-7,9H,8H2,(H2,20,24,25)(H,21,22,23)