7-methoxy-8-(1-methylsulfonylpyrazol-4-yl)naphthalene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 7-methoxy-8-(1-methylsulfonylpyrazol-4-yl)naphthalene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 7-methoxy-8-(1-methylsulfonylpyrazol-4-yl)naphthalene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 7-methoxy-8-(1-methylsulfonyl-4-pyrazolyl)-2-naphthalenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 7-methoxy-8-(1-methylsulfonylpyrazol-4-yl)naphthalene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 8-(1-mesylpyrazol-4-yl)-7-methoxy-2-naphthamidine; 2,2,2-trifluoroacetic acid Formula: C18H17F3N4O5S MolecularWeight: 458.41159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC(=C2)C(=N)N)C=C1)C3=CN(N=C3)S(=O)(=O)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=C(C2=C(C=CC(=C2)C(=N)N)C=C1)C3=CN(N=C3)S(=O)(=O)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H16N4O3S.C2HF3O2/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22;3-2(4,5)1(6)7/h3-9H,1-2H3,(H3,17,18);(H,6,7)