5-(cyclopentylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-(cyclopentylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(cyclopentylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-(cyclopentylamino)-1-(6-mesyl-3-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C16H17F3N4O3S MolecularWeight: 402.39139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)NC3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)NC3CCCC3

InChI

InChI=1S/C16H17F3N4O3S/c1-27(25,26)13-7-6-11(8-20-13)23-15(21-10-4-2-3-5-10)12(9-24)14(22-23)16(17,18)19/h6-10,21H,2-5H2,1H3