1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylazepane

Systemtic Name: 1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylazepane Openeye Name: 1-[[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-thienyl]sulfonyl]azepane CAS Name: 1-[[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-thiophenyl]sulfonyl]azepane IUPAC Name: 1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylazepane Traditional Name: 1-[[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-thienyl]sulfonyl]azepane Formula: C15H18F3N3O2S2 MolecularWeight: 393.44753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=NNC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(S1)C2=NNC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C15H18F3N3O2S2/c1-10-13(25(22,23)21-6-4-2-3-5-7-21)9-12(24-10)11-8-14(20-19-11)15(16,17)18/h8-9H,2-7H2,1H3,(H,19,20)