1-(pyridin-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-(pyridin-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(3-pyridylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(3-pyridinylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-(pyridin-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-(3-pyridylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C18H20F3N3O2S MolecularWeight: 399.43051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC3=CN=CC=C3

InChI

InChI=1S/C18H20F3N3O2S/c19-18(20,21)16-6-1-2-7-17(16)27(25,26)24-10-4-9-23(11-12-24)14-15-5-3-8-22-13-15/h1-3,5-8,13H,4,9-12,14H2