6-[5-(4-ethynyl-3-methyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

Systemtic Name: 6-[5-(4-ethynyl-3-methyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide Openeye Name: 6-[5-(4-ethynyl-3-methyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide CAS Name: 6-[5-(4-ethynyl-3-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonamide IUPAC Name: 6-[5-(4-ethynyl-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide Traditional Name: 6-[5-(4-ethynyl-3-methyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide Formula: C18H13F3N4O2S MolecularWeight: 406.38163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NN2C3=NC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C#C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NN2C3=NC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C#C

InChI

InChI=1S/C18H13F3N4O2S/c1-3-12-4-5-13(8-11(12)2)15-9-16(18(19,20)21)24-25(15)17-7-6-14(10-23-17)28(22,26)27/h1,4-10H,2H3,(H2,22,26,27)