N-(3-cyclopentylsulfonylphenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3-cyclopentylsulfonylphenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(3-cyclopentylsulfonylphenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(3-cyclopentylsulfonylphenyl)-1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-cyclopentylsulfonylphenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(3-cyclopentylsulfonylphenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H20F3N5O4S MolecularWeight: 495.47481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C4CCCC4)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C4CCCC4)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O4S/c1-33-18-10-9-17(27-28-18)29-19(21(22,23)24)16(12-25-29)20(30)26-13-5-4-8-15(11-13)34(31,32)14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,26,30)