5-(azepan-4-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-(azepan-4-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-(azepan-4-yl)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-(4-azepanyl)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(azepan-4-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-(azepan-4-yl)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C17H19F3N4O3S MolecularWeight: 416.41797

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)C3CCCNCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)C3CCCNCC3

InChI

InChI=1S/C17H19F3N4O3S/c1-28(26,27)12-4-5-14(22-9-12)24-15(11-3-2-7-21-8-6-11)13(10-25)16(23-24)17(18,19)20/h4-5,9-11,21H,2-3,6-8H2,1H3