[azanyl-[3-[3-methyl-5-[methyl-[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [azanyl-[3-[3-methyl-5-[methyl-[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [amino-[3-[3-methyl-5-[methyl-[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate CAS Name: [amino-[3-[3-methyl-5-[[N-methyl-4-(2-sulfamoylphenyl)anilino]-oxomethyl]-1-pyrazolyl]phenyl]methylidene]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [amino-[3-[3-methyl-5-[methyl-[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]phenyl]methylidene]azanium; 2,2,2-trifluoroacetate Traditional Name: [amino-[3-[3-methyl-5-[methyl-[4-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate Formula: C27H25F3N6O5S MolecularWeight: 602.58481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(C)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC(=C4)C(=[NH2+])N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(C)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC(=C4)C(=[NH2+])N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C25H24N6O3S.C2HF3O2/c1-16-14-22(31(29-16)20-7-5-6-18(15-20)24(26)27)25(32)30(2)19-12-10-17(11-13-19)21-8-3-4-9-23(21)35(28,33)34;3-2(4,5)1(6)7/h3-15H,1-2H3,(H3,26,27)(H2,28,33,34);(H,6,7)