1-(1-methylpyrazol-4-yl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(1-methylpyrazol-4-yl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(1-methylpyrazol-4-yl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[(1-methyl-4-pyrazolyl)sulfonyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(1-methylpyrazol-4-yl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(1-methylpyrazol-4-yl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C15H18F3N5O2S MolecularWeight: 389.39593

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C15H18F3N5O2S/c1-21-11-13(10-20-21)26(24,25)23-6-2-5-22(7-8-23)14-4-3-12(9-19-14)15(16,17)18/h3-4,9-11H,2,5-8H2,1H3