[azanyl-[3-[5-[[5-[2-(tert-butylsulfamoyl)phenyl]pyrimidin-2-yl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [azanyl-[3-[5-[[5-[2-(tert-butylsulfamoyl)phenyl]pyrimidin-2-yl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [amino-[3-[5-[[5-[2-(tert-butylsulfamoyl)phenyl]pyrimidin-2-yl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate CAS Name: [amino-[3-[5-[[[5-[2-(tert-butylsulfamoyl)phenyl]-2-pyrimidinyl]amino]-oxomethyl]-3-(trifluoromethyl)-1-pyrazolyl]phenyl]methylidene]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [amino-[3-[5-[[5-[2-(tert-butylsulfamoyl)phenyl]pyrimidin-2-yl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylidene]azanium; 2,2,2-trifluoroacetate Traditional Name: [amino-[3-[5-[[5-[2-(tert-butylsulfamoyl)phenyl]pyrimidin-2-yl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate Formula: C28H26F6N8O5S MolecularWeight: 700.612059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CN=C(N=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=[NH2+])N)C(F)(F)F.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CN=C(N=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=[NH2+])N)C(F)(F)F.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C26H25F3N8O3S.C2HF3O2/c1-25(2,3)36-41(39,40)20-10-5-4-9-18(20)16-13-32-24(33-14-16)34-23(38)19-12-21(26(27,28)29)35-37(19)17-8-6-7-15(11-17)22(30)31;3-2(4,5)1(6)7/h4-14,36H,1-3H3,(H3,30,31)(H,32,33,34,38);(H,6,7)