5-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide

Systemtic Name: 5-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide Openeye Name: 5-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide CAS Name: 5-[5-(3-ethynyl-4-methoxyphenyl)-3-(trifluoromethyl)-1-pyrazolyl]-2-pyridinesulfonamide IUPAC Name: 5-[5-(3-ethynyl-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide Traditional Name: 5-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide Formula: C18H13F3N4O3S MolecularWeight: 422.38103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CN=C(C=C3)S(=O)(=O)N)C(F)(F)F)C#C

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CN=C(C=C3)S(=O)(=O)N)C(F)(F)F)C#C

InChI

InChI=1S/C18H13F3N4O3S/c1-3-11-8-12(4-6-15(11)28-2)14-9-16(18(19,20)21)24-25(14)13-5-7-17(23-10-13)29(22,26)27/h1,4-10H,2H3,(H2,22,26,27)