4-[5-(1-benzothiophen-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(1-benzothiophen-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(benzothiophen-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(1-benzothiophen-5-yl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(1-benzothiophen-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(benzothiophen-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C18H12F3N3O2S2 MolecularWeight: 423.43199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)SC=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N2C(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)SC=C4)S(=O)(=O)N

InChI

InChI=1S/C18H12F3N3O2S2/c19-18(20,21)17-10-15(11-1-6-16-12(9-11)7-8-27-16)24(23-17)13-2-4-14(5-3-13)28(22,25)26/h1-10H,(H2,22,25,26)